trisodium [(4E)-5-oxidanylidene-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-3-yl] carbonate

Systemtic Name: trisodium [(4E)-5-oxidanylidene-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-3-yl] carbonate Openeye Name: trisodium [(4E)-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazono]pyrazol-3-yl] carbonate CAS Name: trisodium [(4E)-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]-3-pyrazolyl] carbonate IUPAC Name: trisodium [(4E)-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-3-yl] carbonate Traditional Name: trisodium [(4E)-5-keto-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazono]-2-pyrazolin-3-yl] carbonate Formula: C16H11N4Na3O10S2+2 MolecularWeight: 552.37865

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H12N4O10S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)31(24,25)26)14(30-16(22)23)19-20(15)10-3-7-12(8-4-10)32(27,28)29;;;/h1-8,17H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-1/b18-13+;;;