5-oxidanylidene-1-(4-sulfophenyl)-4-[2-(3-sulfophenyl)hydrazinyl]-4H-pyrazole-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-1-(4-sulfophenyl)-4-[2-(3-sulfophenyl)hydrazinyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-1-(4-sulfophenyl)-4-[2-(3-sulfophenyl)hydrazino]-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-1-(4-sulfophenyl)-4-[(3-sulfophenyl)hydrazo]-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-1-(4-sulfophenyl)-4-[2-(3-sulfophenyl)hydrazinyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-(4-sulfophenyl)-4-[N'-(3-sulfophenyl)hydrazino]-2-pyrazoline-3-carboxylic acid Formula: C16H14N4O9S2 MolecularWeight: 470.43376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NNC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NNC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H14N4O9S2/c21-15-13(18-17-9-2-1-3-12(8-9)31(27,28)29)14(16(22)23)19-20(15)10-4-6-11(7-5-10)30(24,25)26/h1-8,13,17-18H,(H,22,23)(H,24,25,26)(H,27,28,29)