3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: 3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate Openeye Name: 3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate IUPAC Name: 3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 5-keto-1-(4-sulfonatophenyl)-3-pyrazoline-3-carboxylate Formula: C10H6N2O6S-2 MolecularWeight: 282.22944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=C(N2)C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=C(N2)C(=O)[O-])S(=O)(=O)[O-]

InChI

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