ethyl 2-ethyl-6,6-dimethyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 2-ethyl-6,6-dimethyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 2-ethyl-6,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-ethyl-6,6-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 2-ethyl-4-keto-6,6-dimethyl-cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)CC(C1C(=O)OCC)(C)C

Isomeric SMILES

CCC1=CC(=O)CC(C1C(=O)OCC)(C)C

InChI

InChI=1S/C13H20O3/c1-5-9-7-10(14)8-13(3,4)11(9)12(15)16-6-2/h7,11H,5-6,8H2,1-4H3