5-[(Z)-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-sulfophenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(Z)-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-sulfophenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(Z)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-sulfophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[(Z)-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[(Z)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[(Z)-(3-carboxy-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-(2-sulfophenyl)methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C23H18O9S MolecularWeight: 470.44862

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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

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

InChI

InChI=1S/C23H18O9S/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)/b19-14-