4-[[(3E)-3-[(3-acetamidophenyl)hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[(3E)-3-[(3-acetamidophenyl)hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[(3E)-3-[(3-acetamidophenyl)hydrazono]-6-hydroxy-4-oxo-cyclohexa-1,5-dien-1-yl]azobenzenesulfonic acid CAS Name: 4-[[(3E)-3-[(3-acetamidophenyl)hydrazinylidene]-6-hydroxy-4-oxo-1-cyclohexa-1,5-dienyl]azo]benzenesulfonic acid IUPAC Name: 4-[[(3E)-3-[(3-acetamidophenyl)hydrazinylidene]-6-hydroxy-4-oxocyclohexa-1,5-dien-1-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[(3E)-3-[(3-acetamidophenyl)hydrazono]-6-hydroxy-4-keto-cyclohexa-1,5-dien-1-yl]azobesylic acid Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NN=C2C=C(C(=CC2=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)N/N=C/2\C=C(C(=CC2=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C20H17N5O6S/c1-12(26)21-14-3-2-4-15(9-14)23-25-18-10-17(19(27)11-20(18)28)24-22-13-5-7-16(8-6-13)32(29,30)31/h2-11,23,27H,1H3,(H,21,26)(H,29,30,31)/b24-22?,25-18+