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

Systemtic Name: trisodium (4E)-4-[(4-oxidanidylperoxysulfanylphenyl)hydrazinylidene]-5-oxidanylidene-1-sulfonato-pyrazole-3-carboxylate Openeye Name: trisodium (4E)-4-[(4-oxidoperoxysulfanylphenyl)hydrazono]-5-oxo-1-sulfonato-pyrazole-3-carboxylate CAS Name: trisodium (4E)-4-[[4-(oxidodioxythio)phenyl]hydrazinylidene]-5-oxo-1-sulfonato-3-pyrazolecarboxylate IUPAC Name: trisodium (4E)-4-[(4-oxidoperoxysulfanylphenyl)hydrazinylidene]-5-oxo-1-sulfonatopyrazole-3-carboxylate Traditional Name: trisodium (4E)-5-keto-4-[[4-(oxidoperoxythio)phenyl]hydrazono]-1-sulfonato-2-pyrazoline-3-carboxylate Formula: C10H5N4Na3O9S2 MolecularWeight: 458.26741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N4O9S2.3Na/c15-9-7(8(10(16)17)13-14(9)25(19,20)21)12-11-5-1-3-6(4-2-5)24-23-22-18;;;/h1-4,11,18H,(H,16,17)(H,19,20,21);;;/q;3*+1/p-3/b12-7+;;;