2-[[3-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2,5-dimethyl-6-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid; sodium

Systemtic Name: 2-[[3-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2,5-dimethyl-6-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid; sodium Openeye Name: 2-[[5-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3,6-dimethyl-phenyl]methyl-(carboxymethyl)amino]acetic acid; sodium CAS Name: 2-[[5-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetic acid; sodium IUPAC Name: 2-[[5-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetic acid; sodium Traditional Name: 2-[[5-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-keto-2,5-dimethyl-cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3,6-dimethyl-benzyl]-(carboxymethyl)amino]acetic acid; sodium Formula: C33H36N2NaO13S MolecularWeight: 723.69931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)O)C3=CC(=C(C(=C3C)CN(CC(=O)O)CC(=O)O)O)C)C(=C(C1=O)CN(CC(=O)O)CC(=O)O)C.[Na]

Isomeric SMILES

CC1=C/C(=C(/C2=CC=CC=C2S(=O)(=O)O)\C3=CC(=C(C(=C3C)CN(CC(=O)O)CC(=O)O)O)C)/C(=C(C1=O)CN(CC(=O)O)CC(=O)O)C.[Na]

InChI

InChI=1S/C33H36N2O13S.Na/c1-17-9-22(19(3)24(32(17)44)11-34(13-27(36)37)14-28(38)39)31(21-7-5-6-8-26(21)49(46,47)48)23-10-18(2)33(45)25(20(23)4)12-35(15-29(40)41)16-30(42)43;/h5-10,44H,11-16H2,1-4H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,46,47,48);/b31-23+;