[(4R,5S)-4-tert-butyl-1,1,1-tris(fluoranyl)non-2-yn-5-yl] ethanoate

Systemtic Name: [(4R,5S)-4-tert-butyl-1,1,1-tris(fluoranyl)non-2-yn-5-yl] ethanoate Openeye Name: [(1S,2R)-1-butyl-2-tert-butyl-5,5,5-trifluoro-pent-3-ynyl] acetate CAS Name: acetic acid [(4R,5S)-4-tert-butyl-1,1,1-trifluoronon-2-yn-5-yl] ester IUPAC Name: [(4R,5S)-4-tert-butyl-1,1,1-trifluoronon-2-yn-5-yl] acetate Traditional Name: acetic acid [(1S,2R)-1-butyl-2-tert-butyl-5,5,5-trifluoro-pent-3-ynyl] ester Formula: C15H23F3O2 MolecularWeight: 292.33713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23F3O2/c1-6-7-8-13(20-11(2)19)12(14(3,4)5)9-10-15(16,17)18/h12-13H,6-8H2,1-5H3/t12-,13+/m1/s1