[(3S)-dec-1-yn-3-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(3S)-dec-1-yn-3-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-ethynyloctyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(3S)-dec-1-yn-3-yl] ester IUPAC Name: [(3S)-dec-1-yn-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S)-1-heptylprop-2-ynyl] ester Formula: C20H25F3O3 MolecularWeight: 370.40591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25F3O3/c1-4-6-7-8-12-15-17(5-2)26-18(24)19(25-3,20(21,22)23)16-13-10-9-11-14-16/h2,9-11,13-14,17H,4,6-8,12,15H2,1,3H3/t17-,19+/m1/s1