Thermo Scientific Chemicals Thymolphthalexone

Description

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.

Specifications

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

RUO – Research Use Only