trisodium (5Z)-1-oxidanylidene-2-(4-sulfonatophenyl)-5-[(4-sulfonatophenyl)hydrazinylidene]-1,2,3-triazol-1-ium-4-carboxylate

Systemtic Name: trisodium (5Z)-1-oxidanylidene-2-(4-sulfonatophenyl)-5-[(4-sulfonatophenyl)hydrazinylidene]-1,2,3-triazol-1-ium-4-carboxylate Openeye Name: trisodium (5Z)-1-oxo-2-(4-sulfonatophenyl)-5-[(4-sulfonatophenyl)hydrazono]triazol-1-ium-4-carboxylate CAS Name: trisodium (5Z)-1-oxo-2-(4-sulfonatophenyl)-5-[(4-sulfonatophenyl)hydrazinylidene]-4-triazol-1-iumcarboxylate IUPAC Name: trisodium (5Z)-1-oxo-2-(4-sulfonatophenyl)-5-[(4-sulfonatophenyl)hydrazinylidene]triazol-1-ium-4-carboxylate Traditional Name: trisodium (5Z)-1-keto-2-(4-sulfonatophenyl)-5-[(4-sulfonatophenyl)hydrazono]triazol-1-ium-4-carboxylate Formula: C15H9N5Na3O9S2+ MolecularWeight: 536.35937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=NN([N+]2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O9S2.3Na/c21-15(22)13-14(17-16-9-1-5-11(6-2-9)30(24,25)26)20(23)19(18-13)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8H,(H3-,16,18,21,22,23,24,25,26,27,28,29);;;/q;3*+1/p-2