(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) propanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) propanoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) propanoate CAS Name: propanoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) propanoate Traditional Name: propionic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C11H16O3 MolecularWeight: 196.24294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=O)CC(C1)(C)C

Isomeric SMILES

CCC(=O)OC1=CC(=O)CC(C1)(C)C

InChI

InChI=1S/C11H16O3/c1-4-10(13)14-9-5-8(12)6-11(2,3)7-9/h5H,4,6-7H2,1-3H3