(4-methoxy-2,5,5-trimethyl-3-oxidanylidene-cyclohexen-1-yl) ethanoate

Systemtic Name: (4-methoxy-2,5,5-trimethyl-3-oxidanylidene-cyclohexen-1-yl) ethanoate Openeye Name: (4-methoxy-2,5,5-trimethyl-3-oxo-cyclohexen-1-yl) acetate CAS Name: acetic acid (4-methoxy-2,5,5-trimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (4-methoxy-2,5,5-trimethyl-3-oxocyclohexen-1-yl) acetate Traditional Name: acetic acid (3-keto-4-methoxy-2,5,5-trimethyl-cyclohexen-1-yl) ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4/c1-7-9(16-8(2)13)6-12(3,4)11(15-5)10(7)14/h11H,6H2,1-5H3