(4E)-5-oxidanylidene-4-(phenylhydrazinylidene)-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: (4E)-5-oxidanylidene-4-(phenylhydrazinylidene)-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: (4E)-5-oxo-4-(phenylhydrazono)-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: (4E)-5-oxo-4-(phenylhydrazinylidene)-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: (4E)-5-oxo-4-(phenylhydrazinylidene)-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: (4E)-5-keto-4-(phenylhydrazono)-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H12N4O6S/c21-15-13(18-17-10-4-2-1-3-5-10)14(16(22)23)19-20(15)11-6-8-12(9-7-11)27(24,25)26/h1-9,17H,(H,22,23)(H,24,25,26)/b18-13+