trisodium (4E)-1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-4-[(4-sulfonatophenyl)hydrazinylidene]pyrazole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H12N4O9S2.3Na/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;;;/h1-8,17,24H,(H,22,23)(H,25,26,27);;;/q;3*+1/p-3/b18-13+;;;