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

Systemtic Name: [(3R)-pentadec-1-yn-3-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R)-1-ethynyltridecyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(3R)-pentadec-1-yn-3-yl] ester IUPAC Name: [(3R)-pentadec-1-yn-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R)-1-laurylprop-2-ynyl] ester Formula: C25H35F3O3 MolecularWeight: 440.53881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35F3O3/c1-4-6-7-8-9-10-11-12-13-17-20-22(5-2)31-23(29)24(30-3,25(26,27)28)21-18-15-14-16-19-21/h2,14-16,18-19,22H,4,6-13,17,20H2,1,3H3/t22-,24+/m0/s1