5-methyl-6-oxidanylidene-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 5-methyl-6-oxidanylidene-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 5-methyl-6-oxo-3-[[4-(4-sulfophenyl)azophenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 5-methyl-6-oxo-3-[[4-(4-sulfophenyl)azophenyl]hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 5-methyl-6-oxo-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 6-keto-5-methyl-3-[[4-(4-sulfophenyl)azophenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O)C=C(C1=O)C(=O)O

Isomeric SMILES

CC1=CC(=NNC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O)C=C(C1=O)C(=O)O

InChI

InChI=1S/C20H16N4O6S/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30/h2-11,23H,1H3,(H,26,27)(H,28,29,30)