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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CN2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CN2)C(=O)O)S(=O)(=O)O

InChI

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