[(1R)-4-(2-bromanylethynyl)-3,5,5-trimethyl-cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [(1R)-4-(2-bromanylethynyl)-3,5,5-trimethyl-cyclohex-3-en-1-yl] ethanoate Openeye Name: [(1R)-4-(2-bromoethynyl)-3,5,5-trimethyl-cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [(1R)-4-(2-bromoethynyl)-3,5,5-trimethyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R)-4-(2-bromoethynyl)-3,5,5-trimethylcyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [(1R)-4-(2-bromoethynyl)-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)OC(=O)C)(C)C)C#CBr

Isomeric SMILES

CC1=C(C(C[C@@H](C1)OC(=O)C)(C)C)C#CBr

InChI

InChI=1S/C13H17BrO2/c1-9-7-11(16-10(2)15)8-13(3,4)12(9)5-6-14/h11H,7-8H2,1-4H3/t11-/m1/s1