1-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)ethyl ethanoate

Systemtic Name: 1-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)ethyl ethanoate Openeye Name: 1-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)ethyl acetate CAS Name: acetic acid 1-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)ethyl ester IUPAC Name: 1-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)ethyl acetate Traditional Name: acetic acid 1-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)ethyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C(C)OC(=O)C

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)C(C)OC(=O)C

InChI

InChI=1S/C13H20O3/c1-8-11(15)6-7-13(4,5)12(8)9(2)16-10(3)14/h9H,6-7H2,1-5H3