4-[(2E)-2-[3-carboxyoxy-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[3-carboxyoxy-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-[3-carboxyoxy-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-[3-carboxyoxy-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-[3-carboxyoxy-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[3-carboxyoxy-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]besylic acid Formula: C16H12N4O10S2 MolecularWeight: 484.41728

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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

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

InChI

InChI=1S/C16H12N4O10S2/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)/b18-13+