[(5S,6R)-6-(trifluoromethyl)undec-7-yn-5-yl] ethanoate

Systemtic Name: [(5S,6R)-6-(trifluoromethyl)undec-7-yn-5-yl] ethanoate Openeye Name: [(1S,2R)-1-butyl-2-(trifluoromethyl)hept-3-ynyl] acetate CAS Name: acetic acid [(5S,6R)-6-(trifluoromethyl)undec-7-yn-5-yl] ester IUPAC Name: [(5S,6R)-6-(trifluoromethyl)undec-7-yn-5-yl] acetate Traditional Name: acetic acid [(1S,2R)-1-butyl-2-(trifluoromethyl)hept-3-ynyl] ester Formula: C14H21F3O2 MolecularWeight: 278.31055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#CCCC)C(F)(F)F)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21F3O2/c1-4-6-8-9-12(14(15,16)17)13(10-7-5-2)19-11(3)18/h12-13H,4-7,10H2,1-3H3/t12-,13+/m1/s1