sodium 4-(5-carboxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonate

Systemtic Name: sodium 4-(5-carboxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonate Openeye Name: sodium 4-(5-carboxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonate CAS Name: sodium 4-(5-carboxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonate IUPAC Name: sodium 4-(5-carboxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonate Traditional Name: sodium 4-(3-carboxy-5-keto-3-pyrazolin-1-yl)besylate Formula: C10H7N2NaO6S MolecularWeight: 306.22715

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O6S.Na/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);/q;+1/p-1