sodium 5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate

Systemtic Name: sodium 5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate Openeye Name: sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate CAS Name: sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate IUPAC Name: sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate Traditional Name: sodium 5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylate Formula: C10H7N2NaO6S MolecularWeight: 306.22715

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)[O-].[Na+]

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=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;/h1-4H,5H2,(H,14,15)(H,16,17,18);/q;+1/p-1