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

Systemtic Name: 1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate Openeye Name: 1-(4-oxidoperoxysulfanylphenyl)-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate CAS Name: 1-[4-(oxidodioxythio)phenyl]-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate IUPAC Name: 1-(4-oxidoperoxysulfanylphenyl)-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate Traditional Name: 5-keto-1-[4-(oxidoperoxythio)phenyl]-4-(4-sulfonatophenyl)azo-2-pyrazoline-3-carboxylate Formula: C16H9N4O9S2-3 MolecularWeight: 465.39406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C16H12N4O9S2/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/h1-8,13,24H,(H,22,23)(H,25,26,27)/p-3