[(Z,5S)-16-methylicos-3-en-1-yn-5-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(Z,5S)-16-methylicos-3-en-1-yn-5-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-[(Z)-but-1-en-3-ynyl]-12-methyl-hexadecyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(Z,5S)-16-methyleicos-3-en-1-yn-5-yl] ester IUPAC Name: [(Z,5S)-16-methylicos-3-en-1-yn-5-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(Z,1S)-1-(11-methylpentadecyl)pent-2-en-4-ynyl] ester Formula: C31H45F3O3 MolecularWeight: 522.68241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(C)CCCCCCCCCC[C@@H](/C=C\C#C)OC(=O)[C@@](C1=CC=CC=C1)(C(F)(F)F)OC

InChI

InChI=1S/C31H45F3O3/c1-5-7-20-26(3)21-16-13-11-9-10-12-14-19-25-28(24-8-6-2)37-29(35)30(36-4,31(32,33)34)27-22-17-15-18-23-27/h2,8,15,17-18,22-24,26,28H,5,7,9-14,16,19-21,25H2,1,3-4H3/b24-8-/t26?,28-,30+/m1/s1