(4Z)-5-oxidanylidene-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]pyrazole-3-carboxylic acid; sodium

Systemtic Name: (4Z)-5-oxidanylidene-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]pyrazole-3-carboxylic acid; sodium Openeye Name: (4Z)-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazono]pyrazole-3-carboxylic acid; sodium CAS Name: (4Z)-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]-3-pyrazolecarboxylic acid; sodium IUPAC Name: (4Z)-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazinylidene]pyrazole-3-carboxylic acid; sodium Traditional Name: (4Z)-5-keto-1-(4-sulfophenyl)-4-[(4-sulfophenyl)hydrazono]-2-pyrazoline-3-carboxylic acid; sodium Formula: C16H12N4Na3O9S2 MolecularWeight: 537.38719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,17H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/b18-13-;;;