(4-methyl-2-oxidanylidene-1H-pyridin-3-yl) propane-2-sulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-1H-pyridin-3-yl) propane-2-sulfonate Openeye Name: (4-methyl-2-oxo-1H-pyridin-3-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (4-methyl-2-oxo-1H-pyridin-3-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (2-keto-4-methyl-1H-pyridin-3-yl) ester Formula: C9H13NO4S MolecularWeight: 231.26882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC=C1)OS(=O)(=O)C(C)C

Isomeric SMILES

CC1=C(C(=O)NC=C1)OS(=O)(=O)C(C)C

InChI

InChI=1S/C9H13NO4S/c1-6(2)15(12,13)14-8-7(3)4-5-10-9(8)11/h4-6H,1-3H3,(H,10,11)