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

Systemtic Name: sodium 4-[[(3E)-3-[(3-acetamidophenyl)hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[(3E)-3-[(3-acetamidophenyl)hydrazono]-6-hydroxy-4-oxo-cyclohexa-1,5-dien-1-yl]azobenzenesulfonate CAS Name: sodium 4-[[(3E)-3-[(3-acetamidophenyl)hydrazinylidene]-6-hydroxy-4-oxo-1-cyclohexa-1,5-dienyl]azo]benzenesulfonate IUPAC Name: sodium 4-[[(3E)-3-[(3-acetamidophenyl)hydrazinylidene]-6-hydroxy-4-oxocyclohexa-1,5-dien-1-yl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[(3E)-3-[(3-acetamidophenyl)hydrazono]-6-hydroxy-4-keto-cyclohexa-1,5-dien-1-yl]azobesylate Formula: C20H16N5NaO6S MolecularWeight: 477.42571

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C20H17N5O6S.Na/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);/q;+1/p-1/b24-22?,25-18+;