trisodium (4E)-4-(cyclohexa-2,5-dien-1-ylidenehydrazinylidene)-1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-pyrazole-3-carboxylate

Systemtic Name: trisodium (4E)-4-(cyclohexa-2,5-dien-1-ylidenehydrazinylidene)-1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-pyrazole-3-carboxylate Openeye Name: trisodium (4E)-4-(cyclohexa-2,5-dien-1-ylidenehydrazono)-1-(4-oxidoperoxysulfanylphenyl)-5-oxo-pyrazole-3-carboxylate CAS Name: trisodium (4E)-4-(1-cyclohexa-2,5-dienylidenehydrazinylidene)-1-[4-(oxidodioxythio)phenyl]-5-oxo-3-pyrazolecarboxylate IUPAC Name: trisodium (4E)-4-(cyclohexa-2,5-dien-1-ylidenehydrazinylidene)-1-(4-oxidoperoxysulfanylphenyl)-5-oxopyrazole-3-carboxylate Traditional Name: trisodium (4E)-4-(cyclohexa-2,5-dien-1-ylidenehydrazono)-5-keto-1-[4-(oxidoperoxythio)phenyl]-2-pyrazoline-3-carboxylate Formula: C16H9N4Na3O6S MolecularWeight: 454.30017

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC(=NN=C2C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])C=C1.[Na+].[Na+].[Na+]

Isomeric SMILES

[CH-]1C=CC(=N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C(=O)[O-])C=C1.[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H11N4O6S.3Na/c21-15-13(18-17-10-4-2-1-3-5-10)14(16(22)23)19-20(15)11-6-8-12(9-7-11)27-26-25-24;;;/h1-9,24H,(H,22,23);;;/q-1;3*+1/p-2/b18-13+;;;