methyl 3-[(1S,2R)-1,2-dimethyl-6-oxidanylidene-cyclohexyl]propanoate

Systemtic Name: methyl 3-[(1S,2R)-1,2-dimethyl-6-oxidanylidene-cyclohexyl]propanoate Openeye Name: methyl 3-[(1S,2R)-1,2-dimethyl-6-oxo-cyclohexyl]propanoate CAS Name: 3-[(1S,2R)-1,2-dimethyl-6-oxocyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1S,2R)-1,2-dimethyl-6-oxocyclohexyl]propanoate Traditional Name: 3-[(1S,6R)-2-keto-1,6-dimethyl-cyclohexyl]propionic acid methyl ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C1(C)CCC(=O)OC

Isomeric SMILES

C[C@@H]1CCCC(=O)[C@@]1(C)CCC(=O)OC

InChI

InChI=1S/C12H20O3/c1-9-5-4-6-10(13)12(9,2)8-7-11(14)15-3/h9H,4-8H2,1-3H3/t9-,12+/m1/s1