[(1R,4S,5R)-4-ethynyl-3,3,5-trimethyl-4-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1R,4S,5R)-4-ethynyl-3,3,5-trimethyl-4-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethyl-cyclohexyl] acetate CAS Name: acetic acid [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethylcyclohexyl] ester IUPAC Name: [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethylcyclohexyl] acetate Traditional Name: acetic acid [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethyl-cyclohexyl] ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1(C#C)O)(C)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-6-13(15)9(2)7-11(16-10(3)14)8-12(13,4)5/h1,9,11,15H,7-8H2,2-5H3/t9-,11-,13+/m1/s1