1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-4-[2-(4-sulfonatophenyl)hydrazinyl]-4H-pyrazole-3-carboxylate

Systemtic Name: 1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-4-[2-(4-sulfonatophenyl)hydrazinyl]-4H-pyrazole-3-carboxylate Openeye Name: 1-(4-oxidoperoxysulfanylphenyl)-5-oxo-4-[2-(4-sulfonatophenyl)hydrazino]-4H-pyrazole-3-carboxylate CAS Name: 1-[4-(oxidodioxythio)phenyl]-5-oxo-4-[(4-sulfonatophenyl)hydrazo]-4H-pyrazole-3-carboxylate IUPAC Name: 1-(4-oxidoperoxysulfanylphenyl)-5-oxo-4-[2-(4-sulfonatophenyl)hydrazinyl]-4H-pyrazole-3-carboxylate Traditional Name: 5-keto-1-[4-(oxidoperoxythio)phenyl]-4-[N'-(4-sulfonatophenyl)hydrazino]-2-pyrazoline-3-carboxylate Formula: C16H11N4O9S2-3 MolecularWeight: 467.40994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NNC2C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NNC2C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C16H14N4O9S2/c21-15-13(18-17-9-1-7-12(8-2-9)31(25,26)27)14(16(22)23)19-20(15)10-3-5-11(6-4-10)30-29-28-24/h1-8,13,17-18,24H,(H,22,23)(H,25,26,27)/p-3