[(3S,5R)-1-ethynyl-3,5-dimethyl-cyclohexyl] ethanoate

Systemtic Name: [(3S,5R)-1-ethynyl-3,5-dimethyl-cyclohexyl] ethanoate Openeye Name: [(3S,5R)-1-ethynyl-3,5-dimethyl-cyclohexyl] acetate CAS Name: acetic acid [(3S,5R)-1-ethynyl-3,5-dimethylcyclohexyl] ester IUPAC Name: [(3S,5R)-1-ethynyl-3,5-dimethylcyclohexyl] acetate Traditional Name: acetic acid [(3S,5R)-1-ethynyl-3,5-dimethyl-cyclohexyl] ester Formula: C12H18O2 MolecularWeight: 194.27012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2/c1-5-12(14-11(4)13)7-9(2)6-10(3)8-12/h1,9-10H,6-8H2,2-4H3/t9-,10+,12?