2-(3,4-dimethyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 2-(3,4-dimethyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 2-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 2-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 2-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 2-(5-keto-3,4-dimethyl-2-pyrazolin-1-yl)besylic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C

Isomeric SMILES

CC1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C

InChI

InChI=1S/C11H12N2O4S/c1-7-8(2)12-13(11(7)14)9-5-3-4-6-10(9)18(15,16)17/h3-7H,1-2H3,(H,15,16,17)