methyl 3-(2,5-dimethyl-6-oxidanylidene-cyclohexen-1-yl)propanoate

Systemtic Name: methyl 3-(2,5-dimethyl-6-oxidanylidene-cyclohexen-1-yl)propanoate Openeye Name: methyl 3-(2,5-dimethyl-6-oxo-cyclohexen-1-yl)propanoate CAS Name: 3-(2,5-dimethyl-6-oxo-1-cyclohexenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2,5-dimethyl-6-oxocyclohexen-1-yl)propanoate Traditional Name: 3-(6-keto-2,5-dimethyl-cyclohexen-1-yl)propionic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=C(C1=O)CCC(=O)OC)C

Isomeric SMILES

CC1CCC(=C(C1=O)CCC(=O)OC)C

InChI

InChI=1S/C12H18O3/c1-8-4-5-9(2)12(14)10(8)6-7-11(13)15-3/h9H,4-7H2,1-3H3