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Benzenoids

Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (111)
Dibenzocycloheptenes (8)
Naphthalenes (6)
Phenols (6)
Anthracenes (2)
Phenanthrenes and derivatives (2)
Unsubstituted Phenols (2)
Fluorenes (1)

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1 – 15 of 92 results
1

Aniline Hydrogen Phthalate, MP Biomedicals

CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

PubChem CID 170940
CAS 50930-79-5
Molecular Weight (g/mol) 259.261
SMILES C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
Synonym aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt
IUPAC Name aniline;phthalic acid
InChI Key QGPZXNSBZMHHSR-UHFFFAOYSA-N
Molecular Formula C14H13NO4
2

Methyl hydrogen terephthalate, 99+%, Thermo Scientific Chemicals

CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O

PubChem CID 15513
CAS 1679-64-7
Molecular Weight (g/mol) 180.159
MDL Number MFCD00002557
SMILES COC(=O)C1=CC=C(C=C1)C(=O)O
Synonym 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate
IUPAC Name 4-methoxycarbonylbenzoic acid
InChI Key REIDAMBAPLIATC-UHFFFAOYSA-N
Molecular Formula C9H8O4
3

Methyl hydrogen isophthalate, 97%, Thermo Scientific Chemicals

CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

PubChem CID 601880
CAS 1877-71-0
Molecular Weight (g/mol) 180.159
MDL Number MFCD00029972
SMILES COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
IUPAC Name 3-methoxycarbonylbenzoic acid
InChI Key WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula C9H8O4
4

tert-Butyl hydrogen phthalate, 97%, Thermo Scientific Chemicals

CAS: 33693-84-4 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00043711 InChI Key: PBUQZKXKYSAJDO-UHFFFAOYSA-N Synonym: tert-butyl hydrogen phthalate,2-tert-butoxycarbonyl benzoic acid,unii-8390xkx0sq,2-tert-butyl oxycarbonyl benzoic acid,t-monobutyl phthalate,t-butyl hydrogen phthalate,acmc-1ad5b,dsstox_cid_27150,dsstox_rid_82154,dsstox_gsid_47150 PubChem CID: 134976 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O

PubChem CID 134976
CAS 33693-84-4
Molecular Weight (g/mol) 222.24
MDL Number MFCD00043711
SMILES CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O
Synonym tert-butyl hydrogen phthalate,2-tert-butoxycarbonyl benzoic acid,unii-8390xkx0sq,2-tert-butyl oxycarbonyl benzoic acid,t-monobutyl phthalate,t-butyl hydrogen phthalate,acmc-1ad5b,dsstox_cid_27150,dsstox_rid_82154,dsstox_gsid_47150
IUPAC Name 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
InChI Key PBUQZKXKYSAJDO-UHFFFAOYSA-N
Molecular Formula C12H14O4
5

Aniline Hydrogen Phthalate 98.0+%, TCI America™
SDP

CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 MDL Number: MFCD00042034 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

PubChem CID 170940
CAS 50930-79-5
Molecular Weight (g/mol) 259.261
MDL Number MFCD00042034
SMILES C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
Synonym aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt
IUPAC Name aniline;phthalic acid
InChI Key QGPZXNSBZMHHSR-UHFFFAOYSA-N
Molecular Formula C14H13NO4
6

mono-Methyl terephthalate, 97%, Thermo Scientific Chemicals

CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O

EDGE
PubChem CID 15513
CAS 1679-64-7
Molecular Weight (g/mol) 180.16
MDL Number MFCD00002557
SMILES COC(=O)C1=CC=C(C=C1)C(=O)O
Synonym 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate
IUPAC Name 4-methoxycarbonylbenzoic acid
InChI Key REIDAMBAPLIATC-UHFFFAOYSA-N
Molecular Formula C9H8O4
7

Quinhydrone, MP Biomedicals™

CAS: 106-34-3 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00010310 InChI Key: BDJXVNRFAQSMAA-UHFFFAOYSA-N Synonym: quinhydrone,green hydroquinone,p-benzoquinhydrone,chinhydron,chinhydron czech,unii-p4a66lq3qj,hydroquinone, compd. with p-benzoquinone,p-benzoquinone, compd. with hydroquinone,2,5-cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol 1:1,p-benzoquinone-hydroquinone compound 1:1 PubChem CID: 7801 ChEBI: CHEBI:26491 IUPAC Name: benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione SMILES: OC1=CC=C(O)C=C1.O=C1C=CC(=O)C=C1

PubChem CID 7801
CAS 106-34-3
Molecular Weight (g/mol) 218.21
ChEBI CHEBI:26491
MDL Number MFCD00010310
SMILES OC1=CC=C(O)C=C1.O=C1C=CC(=O)C=C1
Synonym quinhydrone,green hydroquinone,p-benzoquinhydrone,chinhydron,chinhydron czech,unii-p4a66lq3qj,hydroquinone, compd. with p-benzoquinone,p-benzoquinone, compd. with hydroquinone,2,5-cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol 1:1,p-benzoquinone-hydroquinone compound 1:1
IUPAC Name benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione
InChI Key BDJXVNRFAQSMAA-UHFFFAOYSA-N
Molecular Formula C12H10O4
8

trans-Dibromobis(triphenylphosphine)palladium(II), Pd 13.4%, Thermo Scientific Chemicals

CAS: 22180-53-6 Molecular Formula: C36H30Br2P2Pd Molecular Weight (g/mol): 790.81 MDL Number: MFCD00134175 InChI Key: MCSDDEAMPOYJJI-UHFFFAOYSA-L Synonym: trans-dibromobis triphenylphosphine palladium ii,palladium bis triphenylphosphine dibromide,dibromobis triphenylphosphine palladium ii,trans-dibromobis triphenylphosphine-palladium ii,palladium 2+ bis triphenylphosphine dibromide PubChem CID: 11104744 IUPAC Name: dibromopalladium;triphenylphosphane SMILES: [Br-].[Br-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 11104744
CAS 22180-53-6
Molecular Weight (g/mol) 790.81
MDL Number MFCD00134175
SMILES [Br-].[Br-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym trans-dibromobis triphenylphosphine palladium ii,palladium bis triphenylphosphine dibromide,dibromobis triphenylphosphine palladium ii,trans-dibromobis triphenylphosphine-palladium ii,palladium 2+ bis triphenylphosphine dibromide
IUPAC Name dibromopalladium;triphenylphosphane
InChI Key MCSDDEAMPOYJJI-UHFFFAOYSA-L
Molecular Formula C36H30Br2P2Pd
9

Monobutyl Phthalate 95.0+%, TCI America™
SDP

CAS: 131-70-4 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00043498 InChI Key: YZBOVSFWWNVKRJ-UHFFFAOYSA-N Synonym: Phthalic Acid Monobutyl Ester, Butyl Hydrogen Phthalate PubChem CID: 8575 IUPAC Name: 2-(butoxycarbonyl)benzoic acid SMILES: CCCCOC(=O)C1=CC=CC=C1C(O)=O

PubChem CID 8575
CAS 131-70-4
Molecular Weight (g/mol) 222.24
MDL Number MFCD00043498
SMILES CCCCOC(=O)C1=CC=CC=C1C(O)=O
Synonym Phthalic Acid Monobutyl Ester, Butyl Hydrogen Phthalate
IUPAC Name 2-(butoxycarbonyl)benzoic acid
InChI Key YZBOVSFWWNVKRJ-UHFFFAOYSA-N
Molecular Formula C12H14O4
10

Monomethyl Terephthalate 98.0+%, TCI America™
SDP

CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O

PubChem CID 15513
CAS 1679-64-7
Molecular Weight (g/mol) 180.159
MDL Number MFCD00002557
SMILES COC(=O)C1=CC=C(C=C1)C(=O)O
Synonym 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate
IUPAC Name 4-methoxycarbonylbenzoic acid
InChI Key REIDAMBAPLIATC-UHFFFAOYSA-N
Molecular Formula C9H8O4
11

Monobenzyl Phthalate 98.0+%, TCI America™
SDP

CAS: 2528-16-7 Molecular Formula: C15H11CaO4 Molecular Weight (g/mol): 295.33 MDL Number: MFCD00020279 InChI Key: HLBMYHRBXPVVCC-UHFFFAOYSA-M Synonym: Benzyl Hydrogen Phthalate, Phthalic Acid Monobenzyl Ester PubChem CID: 31736 IUPAC Name: calcium 2-[(benzyloxy)carbonyl]benzoate SMILES: [Ca++].[O-]C(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1

PubChem CID 31736
CAS 2528-16-7
Molecular Weight (g/mol) 295.33
MDL Number MFCD00020279
SMILES [Ca++].[O-]C(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1
Synonym Benzyl Hydrogen Phthalate, Phthalic Acid Monobenzyl Ester
IUPAC Name calcium 2-[(benzyloxy)carbonyl]benzoate
InChI Key HLBMYHRBXPVVCC-UHFFFAOYSA-M
Molecular Formula C15H11CaO4
12

Monomethyl Isophthalate 97.0+%, TCI America™
SDP

CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

PubChem CID 601880
CAS 1877-71-0
Molecular Weight (g/mol) 180.159
MDL Number MFCD00029972
SMILES COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
IUPAC Name 3-methoxycarbonylbenzoic acid
InChI Key WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula C9H8O4
13

MitoPY1, Tocris Bioscience™
GSA_VA GREENER_CHOICE

CAS: 1041634-69-8 Molecular Formula: C52H53BIN2O5P Molecular Weight (g/mol): 954.693 InChI Key: JPCCULDYUUMFAD-UHFFFAOYSA-M Synonym: mitopy1,4-4-3-oxo-6'-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl spiro isobenzofuran-1 3h ,9'-9h xanthen-3'-yl-1-piperazinyl butyl triphenyl-phosphonium iodide PubChem CID: 90488942 IUPAC Name: 4-[4-[3-oxo-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2-benzofuran-1,9'-xanthene]-3'-yl]piperazin-1-yl]butyl-triphenylphosphanium;iodide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)N6CCN(CC6)CCCC[P+](C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1C(=O)O4.[I-]

PubChem CID 90488942
CAS 1041634-69-8
Molecular Weight (g/mol) 954.693
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)N6CCN(CC6)CCCC[P+](C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1C(=O)O4.[I-]
Synonym mitopy1,4-4-3-oxo-6'-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl spiro isobenzofuran-1 3h ,9'-9h xanthen-3'-yl-1-piperazinyl butyl triphenyl-phosphonium iodide
IUPAC Name 4-[4-[3-oxo-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2-benzofuran-1,9'-xanthene]-3'-yl]piperazin-1-yl]butyl-triphenylphosphanium;iodide
InChI Key JPCCULDYUUMFAD-UHFFFAOYSA-M
Molecular Formula C52H53BIN2O5P
14

Monomethyl 5-Nitroisophthalate 98.0+%, TCI America™
SDP

CAS: 1955-46-0 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD00009793 InChI Key: ZCRNIIJXDRYWDU-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl-5-nitrobenzoic acid,5-nitroisophthalic acid monomethyl ester,monomethyl 5-nitroisophthalate,methyl 5-nitroisophthalate,mono-methyl 5-nitroisophthalate,mono-methyl-5-nitroisophthalic acid,methyl hydrogen 5-nitroisophthalate,5-nitroisophthalic acid, monomethyl ester,monomethyl-5-nitroisophthalate,monomethyl 5-nitrobenzene-1,3-dicarboxylate PubChem CID: 74776 SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 74776
CAS 1955-46-0
Molecular Weight (g/mol) 225.156
MDL Number MFCD00009793
SMILES COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym 3-methoxycarbonyl-5-nitrobenzoic acid,5-nitroisophthalic acid monomethyl ester,monomethyl 5-nitroisophthalate,methyl 5-nitroisophthalate,mono-methyl 5-nitroisophthalate,mono-methyl-5-nitroisophthalic acid,methyl hydrogen 5-nitroisophthalate,5-nitroisophthalic acid, monomethyl ester,monomethyl-5-nitroisophthalate,monomethyl 5-nitrobenzene-1,3-dicarboxylate
InChI Key ZCRNIIJXDRYWDU-UHFFFAOYSA-N
Molecular Formula C9H7NO6
15

Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate 96.0+%, TCI America™
SDP

CAS: 66165-37-5 Molecular Formula: C17H29O4P Molecular Weight (g/mol): 328.39 MDL Number: MFCD06797098 InChI Key: WBSRIXCTCFFHEF-UHFFFAOYNA-N Synonym: 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester, Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate PubChem CID: 92274 IUPAC Name: [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl](ethoxy)phosphinic acid SMILES: CCOP(O)(=O)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

PubChem CID 92274
CAS 66165-37-5
Molecular Weight (g/mol) 328.39
MDL Number MFCD06797098
SMILES CCOP(O)(=O)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
Synonym 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester, Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate
IUPAC Name [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl](ethoxy)phosphinic acid
InChI Key WBSRIXCTCFFHEF-UHFFFAOYNA-N
Molecular Formula C17H29O4P