[(2S)-1,1,1-tris(fluoranyl)-5-phenylmethoxy-pent-3-yn-2-yl] ethanoate

Systemtic Name: [(2S)-1,1,1-tris(fluoranyl)-5-phenylmethoxy-pent-3-yn-2-yl] ethanoate Openeye Name: [(1S)-4-benzyloxy-1-(trifluoromethyl)but-2-ynyl] acetate CAS Name: acetic acid [(2S)-1,1,1-trifluoro-5-phenylmethoxypent-3-yn-2-yl] ester IUPAC Name: [(2S)-1,1,1-trifluoro-5-phenylmethoxypent-3-yn-2-yl] acetate Traditional Name: acetic acid [(1S)-4-benzoxy-1-(trifluoromethyl)but-2-ynyl] ester Formula: C14H13F3O3 MolecularWeight: 286.24643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CCOCC1=CC=CC=C1)C(F)(F)F

Isomeric SMILES

CC(=O)O[C@@H](C#CCOCC1=CC=CC=C1)C(F)(F)F

InChI

InChI=1S/C14H13F3O3/c1-11(18)20-13(14(15,16)17)8-5-9-19-10-12-6-3-2-4-7-12/h2-4,6-7,13H,9-10H2,1H3/t13-/m0/s1