[(3R,4S)-1-phenyl-3-(trifluoromethyl)oct-1-yn-4-yl] ethanoate

Systemtic Name: [(3R,4S)-1-phenyl-3-(trifluoromethyl)oct-1-yn-4-yl] ethanoate Openeye Name: [(1S)-1-[(1R)-3-phenyl-1-(trifluoromethyl)prop-2-ynyl]pentyl] acetate CAS Name: acetic acid [(3R,4S)-1-phenyl-3-(trifluoromethyl)oct-1-yn-4-yl] ester IUPAC Name: [(3R,4S)-1-phenyl-3-(trifluoromethyl)oct-1-yn-4-yl] acetate Traditional Name: acetic acid [(1S,2R)-1-butyl-4-phenyl-2-(trifluoromethyl)but-3-ynyl] ester Formula: C17H19F3O2 MolecularWeight: 312.32677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#CC1=CC=CC=C1)C(F)(F)F)OC(=O)C

Isomeric SMILES

CCCC[C@@H]([C@@H](C#CC1=CC=CC=C1)C(F)(F)F)OC(=O)C

InChI

InChI=1S/C17H19F3O2/c1-3-4-10-16(22-13(2)21)15(17(18,19)20)12-11-14-8-6-5-7-9-14/h5-9,15-16H,3-4,10H2,1-2H3/t15-,16+/m1/s1