methyl (1R,6S)-2-methyl-4-oxidanylidene-6-propyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1R,6S)-2-methyl-4-oxidanylidene-6-propyl-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1R,6S)-2-methyl-4-oxo-6-propyl-cyclohex-2-ene-1-carboxylate CAS Name: (1R,6S)-2-methyl-4-oxo-6-propyl-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,6S)-2-methyl-4-oxo-6-propylcyclohex-2-ene-1-carboxylate Traditional Name: (1R,6S)-4-keto-2-methyl-6-propyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(=O)C=C(C1C(=O)OC)C

Isomeric SMILES

CCC[C@H]1CC(=O)C=C([C@@H]1C(=O)OC)C

InChI

InChI=1S/C12H18O3/c1-4-5-9-7-10(13)6-8(2)11(9)12(14)15-3/h6,9,11H,4-5,7H2,1-3H3/t9-,11-/m0/s1