3-[[4-[4-[[2,4-bis(azanyl)-5-sulfo-phenyl]diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-5-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[[4-[4-[[2,4-bis(azanyl)-5-sulfo-phenyl]diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-5-methyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[[4-[4-(2,4-diamino-5-sulfo-phenyl)azo-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[[4-[4-(2,4-diamino-5-sulfophenyl)azo-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-methyl-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[[4-[4-[(2,4-diamino-5-sulfophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-methyl-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-[[4-[4-(2,4-diamino-5-sulfo-phenyl)azo-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-6-keto-5-methyl-cyclohexa-1,4-diene-1-carboxylic acid Formula: C28H26N6O6S MolecularWeight: 574.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4N)N)S(=O)(=O)O)C)C)C=C(C1=O)C(=O)O

Isomeric SMILES

CC1=CC(=NNC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4N)N)S(=O)(=O)O)C)C)C=C(C1=O)C(=O)O

InChI

InChI=1S/C28H26N6O6S/c1-14-8-17(4-6-23(14)32-31-19-10-16(3)27(35)20(11-19)28(36)37)18-5-7-24(15(2)9-18)33-34-25-13-26(41(38,39)40)22(30)12-21(25)29/h4-13,32H,29-30H2,1-3H3,(H,36,37)(H,38,39,40)