methyl 2-[(1S,2R,6S)-1,2-dimethyl-6-(2-oxidanylideneethyl)cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1S,2R,6S)-1,2-dimethyl-6-(2-oxidanylideneethyl)cyclohexyl]ethanoate Openeye Name: methyl 2-[(1S,2R,6S)-1,2-dimethyl-6-(2-oxoethyl)cyclohexyl]acetate CAS Name: 2-[(1S,2R,6S)-1,2-dimethyl-6-(2-oxoethyl)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2R,6S)-1,2-dimethyl-6-(2-oxoethyl)cyclohexyl]acetate Traditional Name: 2-[(1S,2S,6R)-2-(2-ketoethyl)-1,6-dimethyl-cyclohexyl]acetic acid methyl ester Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C)CC(=O)OC)CC=O

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-10-5-4-6-11(7-8-14)13(10,2)9-12(15)16-3/h8,10-11H,4-7,9H2,1-3H3/t10-,11+,13+/m1/s1