trisodium 5-[(Z)-(3-carboxylato-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidanyl-benzoate

Systemtic Name: trisodium 5-[(Z)-(3-carboxylato-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidanyl-benzoate Openeye Name: trisodium 5-[(Z)-(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-2-hydroxy-3-methyl-benzoate CAS Name: trisodium 5-[(Z)-(3-carboxylato-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate IUPAC Name: trisodium 5-[(Z)-(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate Traditional Name: trisodium 5-[(Z)-(3-carboxylato-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-2-hydroxy-3-methyl-benzoate Formula: C23H15Na3O9S MolecularWeight: 536.39411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)[O-])C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1O)C(=O)[O-])/C(=C/2\C=C(C(=O)C(=C2)C(=O)[O-])C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14-;;;