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

Systemtic Name: 5-oxidanylidene-1-(2-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-1-(2-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-1-(2-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-1-(2-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-(2-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C10H8N2O6S MolecularWeight: 284.24532

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C10H8N2O6S/c13-9-5-6(10(14)15)11-12(9)7-3-1-2-4-8(7)19(16,17)18/h1-4H,5H2,(H,14,15)(H,16,17,18)