methyl 3-(1,4,4-trimethyl-2-oxidanylidene-cyclohexyl)propanoate

Systemtic Name: methyl 3-(1,4,4-trimethyl-2-oxidanylidene-cyclohexyl)propanoate Openeye Name: methyl 3-(1,4,4-trimethyl-2-oxo-cyclohexyl)propanoate CAS Name: 3-(1,4,4-trimethyl-2-oxocyclohexyl)propanoic acid methyl ester IUPAC Name: methyl 3-(1,4,4-trimethyl-2-oxocyclohexyl)propanoate Traditional Name: 3-(2-keto-1,4,4-trimethyl-cyclohexyl)propionic acid methyl ester Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(=O)C1)(C)CCC(=O)OC)C

Isomeric SMILES

CC1(CCC(C(=O)C1)(C)CCC(=O)OC)C

InChI

InChI=1S/C13H22O3/c1-12(2)7-8-13(3,10(14)9-12)6-5-11(15)16-4/h5-9H2,1-4H3