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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=NN1C2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=O)C(=NN1C2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

InChI

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