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

Systemtic Name: trisodium 4-[(4-oxidanidylperoxysulfanylphenyl)diazenyl]-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate Openeye Name: trisodium 4-(4-oxidoperoxysulfanylphenyl)azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate CAS Name: trisodium 4-[4-(oxidodioxythio)phenyl]azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate IUPAC Name: trisodium 4-[(4-oxidoperoxysulfanylphenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate Traditional Name: trisodium 5-keto-4-[4-(oxidoperoxythio)phenyl]azo-1-(4-sulfonatophenyl)-2-pyrazoline-3-carboxylate Formula: C16H9N4Na3O9S2 MolecularWeight: 534.36337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30-29-28-24)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(25,26)27;;;/h1-8,13,24H,(H,22,23)(H,25,26,27);;;/q;3*+1/p-3