[(1S,2R,5R)-2-methyl-2-oxidanyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl] ethanoate

Systemtic Name: [(1S,2R,5R)-2-methyl-2-oxidanyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl] ethanoate Openeye Name: [(1S,2R,5R)-2-hydroxy-5-isopropenyl-2-methyl-3-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1S,2R,5R)-2-hydroxy-2-methyl-5-(1-methylethenyl)-3-oxocyclohexyl] ester IUPAC Name: [(1S,2R,5R)-2-hydroxy-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl] acetate Traditional Name: acetic acid [(1S,2R,5R)-2-hydroxy-5-isopropenyl-3-keto-2-methyl-cyclohexyl] ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(C(C(=O)C1)(C)O)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4/c1-7(2)9-5-10(14)12(4,15)11(6-9)16-8(3)13/h9,11,15H,1,5-6H2,2-4H3/t9-,11-,12-/m0/s1