trisodium (5Z)-5-[[3-carboxylato-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate

Systemtic Name: trisodium (5Z)-5-[[3-carboxylato-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate Openeye Name: trisodium (5Z)-5-[[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazono]-1,2,4-triazole-3-carboxylate CAS Name: trisodium (5Z)-5-[[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate IUPAC Name: trisodium (5Z)-5-[[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-1,2,4-triazole-3-carboxylate Traditional Name: trisodium (5Z)-5-[[3-carboxylato-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-yl]hydrazono]-1,2,4-triazole-3-carboxylate Formula: C13H6N7Na3O8S MolecularWeight: 489.26315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])NN=C3N=C(N=N3)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])N/N=C\3/N=C(N=N3)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C13H9N7O8S.3Na/c21-10-7(15-17-13-14-9(12(24)25)16-18-13)8(11(22)23)19-20(10)5-1-3-6(4-2-5)29(26,27)28;;;/h1-4,7,15H,(H,22,23)(H,24,25)(H,26,27,28);;;/q;3*+1/p-3/b17-13-;;;