[(1S,2R)-2-methyl-2-oxidanyl-4-oxidanylidene-cyclohexyl] ethanoate

Systemtic Name: [(1S,2R)-2-methyl-2-oxidanyl-4-oxidanylidene-cyclohexyl] ethanoate Openeye Name: [(1S,2R)-2-hydroxy-2-methyl-4-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1S,2R)-2-hydroxy-2-methyl-4-oxocyclohexyl] ester IUPAC Name: [(1S,2R)-2-hydroxy-2-methyl-4-oxocyclohexyl] acetate Traditional Name: acetic acid [(1S,2R)-2-hydroxy-4-keto-2-methyl-cyclohexyl] ester Formula: C9H14O4 MolecularWeight: 186.20506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(=O)CC1(C)O

Isomeric SMILES

CC(=O)O[C@H]1CCC(=O)C[C@@]1(C)O

InChI

InChI=1S/C9H14O4/c1-6(10)13-8-4-3-7(11)5-9(8,2)12/h8,12H,3-5H2,1-2H3/t8-,9+/m0/s1