[1-(2-methylphenyl)-1-oxidanylidene-butan-2-yl] methanesulfonate

Systemtic Name: [1-(2-methylphenyl)-1-oxidanylidene-butan-2-yl] methanesulfonate Openeye Name: 1-(2-methylbenzoyl)propyl methanesulfonate CAS Name: methanesulfonic acid [1-(2-methylphenyl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methylphenyl)-1-oxobutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid 1-o-toluoylpropyl ester Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1C)OS(=O)(=O)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1C)OS(=O)(=O)C

InChI

InChI=1S/C12H16O4S/c1-4-11(16-17(3,14)15)12(13)10-8-6-5-7-9(10)2/h5-8,11H,4H2,1-3H3