Thermo Scientific Chemicals Thymolphthalexone

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

CAS

1913-93-5

Molecular Formula

C38H44N2O12

Molecular Weight (g/mol)

720.77

MDL Number

MFCD00001619

InChI Key

AGXCADFSYJNMEG-UHFFFAOYNA-N

Synonym

thymolphthalexone, thymolphthalein complexon, thymolphthalein complexone, thymolphthalexon, thymolphthalein-3,3'-bismethyliminodiacetic acid, 3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid, n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine, thymophthalexon, 3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein, 2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid

PubChem CID

112918

IUPAC Name

2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid

SMILES

CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C

Quantity

5 g

Beilstein

1339087

Formula Weight

720.78

Chemical Name or Material

Thymolphthalexone

EINECSNumber

217-627-2

TSCA

No

Recommended Storage

Ambient temperatures

SDS

EINECSNumber

217-627-2

TSCA

No

Recommended Storage

Ambient temperatures

SDS

RUO – Research Use Only