[(1R,2R,3S)-3-butyl-2-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1R,2R,3S)-3-butyl-2-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1R,2R,3S)-3-butyl-2-hydroxy-cyclohexyl] acetate CAS Name: acetic acid [(1R,2R,3S)-3-butyl-2-hydroxycyclohexyl] ester IUPAC Name: [(1R,2R,3S)-3-butyl-2-hydroxycyclohexyl] acetate Traditional Name: acetic acid [(1R,2R,3S)-3-butyl-2-hydroxy-cyclohexyl] ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC(C1O)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3/c1-3-4-6-10-7-5-8-11(12(10)14)15-9(2)13/h10-12,14H,3-8H2,1-2H3/t10-,11+,12+/m0/s1