3-oxidanylidenebutan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methyl-propyl) ester Formula: C11H14O4S MolecularWeight: 242.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C

InChI

InChI=1S/C11H14O4S/c1-8-4-6-11(7-5-8)16(13,14)15-10(3)9(2)12/h4-7,10H,1-3H3