[(1S,6R)-2,6-dimethyl-6-(trideuteriomethyl)cyclohex-2-en-1-yl]methyl ethanoate

Systemtic Name: [(1S,6R)-2,6-dimethyl-6-(trideuteriomethyl)cyclohex-2-en-1-yl]methyl ethanoate Openeye Name: [(1S,6R)-2,6-dimethyl-6-(trideuteriomethyl)cyclohex-2-en-1-yl]methyl acetate CAS Name: acetic acid [(1S,6R)-2,6-dimethyl-6-(trideuteriomethyl)-1-cyclohex-2-enyl]methyl ester IUPAC Name: [(1S,6R)-2,6-dimethyl-6-(trideuteriomethyl)cyclohex-2-en-1-yl]methyl acetate Traditional Name: acetic acid [(1S,6R)-2,6-dimethyl-6-(trideuteriomethyl)cyclohex-2-en-1-yl]methyl ester Formula: C12H20O2 MolecularWeight: 199.304485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1COC(=O)C)(C)C

Isomeric SMILES

[2H]C([2H])([2H])[C@@]1(CCC=C([C@H]1COC(=O)C)C)C

InChI

InChI=1S/C12H20O2/c1-9-6-5-7-12(3,4)11(9)8-14-10(2)13/h6,11H,5,7-8H2,1-4H3/t11-/m1/s1/i3D3/t11-,12+