[(1S,2S)-2-acetyloxy-5-bromanyl-3-(trifluoromethyl)cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [(1S,2S)-2-acetyloxy-5-bromanyl-3-(trifluoromethyl)cyclohex-3-en-1-yl] ethanoate Openeye Name: [(1S,2S)-2-acetoxy-5-bromo-3-(trifluoromethyl)cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [(1S,2S)-2-acetyloxy-5-bromo-3-(trifluoromethyl)-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2S)-2-acetyloxy-5-bromo-3-(trifluoromethyl)cyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [(1S,2S)-2-acetoxy-5-bromo-3-(trifluoromethyl)cyclohex-3-en-1-yl] ester Formula: C11H12BrF3O4 MolecularWeight: 345.10979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C=C(C1OC(=O)C)C(F)(F)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrF3O4/c1-5(16)18-9-4-7(12)3-8(11(13,14)15)10(9)19-6(2)17/h3,7,9-10H,4H2,1-2H3/t7?,9-,10-/m0/s1