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

Systemtic Name: 3-[[4-[[2,6-bis(azanyl)-3-[(2,4-dimethyl-6-sulfo-phenyl)diazenyl]-5-methyl-phenyl]diazenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[[4-[2,6-diamino-3-(2,4-dimethyl-6-sulfo-phenyl)azo-5-methyl-phenyl]azophenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[[4-[2,6-diamino-3-(2,4-dimethyl-6-sulfophenyl)azo-5-methylphenyl]azophenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[[4-[[2,6-diamino-3-[(2,4-dimethyl-6-sulfophenyl)diazenyl]-5-methylphenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-[[4-[2,6-diamino-3-(2,4-dimethyl-6-sulfo-phenyl)azo-5-methyl-phenyl]azophenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C28H26N8O6S MolecularWeight: 602.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=C(C(=C(C(=C2)C)N)N=NC3=CC=C(C=C3)NN=C4C=CC(=O)C(=C4)C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=C(C(=C(C(=C2)C)N)N=NC3=CC=C(C=C3)NN=C4C=CC(=O)C(=C4)C(=O)O)N)C

InChI

InChI=1S/C28H26N8O6S/c1-14-10-16(3)26(23(11-14)43(40,41)42)35-34-21-12-15(2)24(29)27(25(21)30)36-32-18-6-4-17(5-7-18)31-33-19-8-9-22(37)20(13-19)28(38)39/h4-13,31H,29-30H2,1-3H3,(H,38,39)(H,40,41,42)