[(3S,4E,6E,12E)-3,14-bis[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy]tetradeca-4,6,12-trien-8,10-diynyl] 3-methylbutanoate

Systemtic Name: [(3S,4E,6E,12E)-3,14-bis[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy]tetradeca-4,6,12-trien-8,10-diynyl] 3-methylbutanoate Openeye Name: [(3S,4E,6E,12E)-3,14-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy]tetradeca-4,6,12-trien-8,10-diynyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(3S,4E,6E,12E)-3,14-bis[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]tetradeca-4,6,12-trien-8,10-diynyl] ester IUPAC Name: [(3S,4E,6E,12E)-3,14-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy]tetradeca-4,6,12-trien-8,10-diynyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(3S,4E,6E,12E)-3,14-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy]tetradeca-4,6,12-trien-8,10-diynyl] ester Formula: C39H38F6O8 MolecularWeight: 748.704639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCCC(C=CC=CC#CC#CC=CCOC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

Isomeric SMILES

CC(C)CC(=O)OCC[C@@H](/C=C/C=C/C#CC#C/C=C/COC(=O)[C@@](C1=CC=CC=C1)(C(F)(F)F)OC)OC(=O)[C@@](C2=CC=CC=C2)(C(F)(F)F)OC

InChI

InChI=1S/C39H38F6O8/c1-29(2)28-33(46)51-27-25-32(53-35(48)37(50-4,39(43,44)45)31-22-16-13-17-23-31)24-18-10-8-6-5-7-9-11-19-26-52-34(47)36(49-3,38(40,41)42)30-20-14-12-15-21-30/h8,10-24,29,32H,25-28H2,1-4H3/b10-8+,19-11+,24-18+/t32-,36+,37+/m1/s1