(3-methylsulfanyl-5-prop-1-en-2-yl-cyclohexyl) propanoate

Systemtic Name: (3-methylsulfanyl-5-prop-1-en-2-yl-cyclohexyl) propanoate Openeye Name: (3-isopropenyl-5-methylsulfanyl-cyclohexyl) propanoate CAS Name: propanoic acid [3-(1-methylethenyl)-5-(methylthio)cyclohexyl] ester IUPAC Name: (3-methylsulfanyl-5-prop-1-en-2-ylcyclohexyl) propanoate Traditional Name: propionic acid [3-isopropenyl-5-(methylthio)cyclohexyl] ester Formula: C13H22O2S MolecularWeight: 242.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CC(CC(C1)SC)C(=C)C

Isomeric SMILES

CCC(=O)OC1CC(CC(C1)SC)C(=C)C

InChI

InChI=1S/C13H22O2S/c1-5-13(14)15-11-6-10(9(2)3)7-12(8-11)16-4/h10-12H,2,5-8H2,1,3-4H3