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

Systemtic Name: sodium 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: sodium 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate CAS Name: sodium 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: sodium 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: sodium 4-(5-keto-3-methyl-2-pyrazolin-1-yl)besylate Formula: C10H9N2NaO4S MolecularWeight: 276.24423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H10N2O4S.Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1