[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,3-dimethyl-6-oxidanylidene-cyclohexene-1-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,3-dimethyl-6-oxidanylidene-cyclohexene-1-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3,3-dimethyl-6-oxo-cyclohexene-1-carboxylate CAS Name: 3,3-dimethyl-6-oxo-1-cyclohexenecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,3-dimethyl-6-oxocyclohexene-1-carboxylate Traditional Name: 6-keto-3,3-dimethyl-cyclohexene-1-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H30O3 MolecularWeight: 306.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(CCC2=O)(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(CCC2=O)(C)C)C(C)C

InChI

InChI=1S/C19H30O3/c1-12(2)14-7-6-13(3)10-17(14)22-18(21)15-11-19(4,5)9-8-16(15)20/h11-14,17H,6-10H2,1-5H3/t13-,14+,17-/m1/s1