Products 63721-83-5

CAS 63721-83-5 appears in our catalog under these names: Xylenol Orange sodium salt, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine sodium salt, IND,IND. Offered by: GLPBio, Chemat. Available pack sizes: 1g, 25g, 5g, 100g, 500g.

Structural formula: {0} (CAS {1})

Sodium 2-[[5-[(E)-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetate (CAS 63721-83-5) is a chemical compound with the molecular formula C31H31N2NaO13S and a molecular weight of 694.6 g/mol. IUPAC name: sodium 2-[[5-[(E)-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetate. InChIKey: VFKMJZUEFSTCGQ-PXNGTKLSSA-M.

Identity
Molecular formulaC31H31N2NaO13S
Molecular weight694.6 g/mol
IUPAC namesodium 2-[[5-[(E)-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetate
InChIKeyVFKMJZUEFSTCGQ-PXNGTKLSSA-M
SMILESCC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)[O-])/C(=C\2/C=C(C(=O)C(=C2)CN(CC(=O)O)CC(=O)O)C)/C3=CC=CC=C3S(=O)(=O)O.[Na+]

Computed by PubChem (NCBI)