methyl 4-(2,6-dimethyl-3-oxidanylidene-cyclohexen-1-yl)butanoate

Systemtic Name: methyl 4-(2,6-dimethyl-3-oxidanylidene-cyclohexen-1-yl)butanoate Openeye Name: methyl 4-(2,6-dimethyl-3-oxo-cyclohexen-1-yl)butanoate CAS Name: 4-(2,6-dimethyl-3-oxo-1-cyclohexenyl)butanoic acid methyl ester IUPAC Name: methyl 4-(2,6-dimethyl-3-oxocyclohexen-1-yl)butanoate Traditional Name: 4-(3-keto-2,6-dimethyl-cyclohexen-1-yl)butyric acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(=C1CCCC(=O)OC)C

Isomeric SMILES

CC1CCC(=O)C(=C1CCCC(=O)OC)C

InChI

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