2-azanylidene-4-[(4-oxidanidylperoxysulfanylphenyl)amino]-4-oxidanylidene-3-[2-(4-sulfonatophenyl)hydrazinyl]butanoate

Systemtic Name: 2-azanylidene-4-[(4-oxidanidylperoxysulfanylphenyl)amino]-4-oxidanylidene-3-[2-(4-sulfonatophenyl)hydrazinyl]butanoate Openeye Name: 2-imino-4-(4-oxidoperoxysulfanylanilino)-4-oxo-3-[2-(4-sulfonatophenyl)hydrazino]butanoate CAS Name: 2-imino-4-[4-(oxidodioxythio)anilino]-4-oxo-3-[(4-sulfonatophenyl)hydrazo]butanoate IUPAC Name: 2-imino-4-(4-oxidoperoxysulfanylanilino)-4-oxo-3-[2-(4-sulfonatophenyl)hydrazinyl]butanoate Traditional Name: 2-imino-4-keto-4-[4-(oxidoperoxythio)anilino]-3-[N'-(4-sulfonatophenyl)hydrazino]butyrate Formula: C16H13N4O9S2-3 MolecularWeight: 469.42582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(C(=N)C(=O)[O-])NNC2=CC=C(C=C2)S(=O)(=O)[O-])SOO[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(C(=N)C(=O)[O-])NNC2=CC=C(C=C2)S(=O)(=O)[O-])SOO[O-]

InChI

InChI=1S/C16H16N4O9S2/c17-13(16(22)23)14(20-19-10-3-7-12(8-4-10)31(25,26)27)15(21)18-9-1-5-11(6-2-9)30-29-28-24/h1-8,14,17,19-20,24H,(H,18,21)(H,22,23)(H,25,26,27)/p-3