[(1R)-1-[(2R,5R)-5-[(4R,7S)-7-[(2S,5R)-5-[7-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]heptyl]oxolan-2-yl]-1,3-dioxepan-4-yl]oxolan-2-yl]tridecyl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(1R)-1-[(2R,5R)-5-[(4R,7S)-7-[(2S,5R)-5-[7-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]heptyl]oxolan-2-yl]-1,3-dioxepan-4-yl]oxolan-2-yl]tridecyl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R)-1-[(2R,5R)-5-[(4R,7S)-7-[(2S,5R)-5-[7-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]heptyl]tetrahydrofuran-2-yl]-1,3-dioxepan-4-yl]tetrahydrofuran-2-yl]tridecyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(1R)-1-[(2R,5R)-5-[(4R,7S)-7-[(2S,5R)-5-[7-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]heptyl]-2-oxolanyl]-1,3-dioxepan-4-yl]-2-oxolanyl]tridecyl] ester IUPAC Name: [(1R)-1-[(2R,5R)-5-[(4R,7S)-7-[(2S,5R)-5-[7-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]heptyl]oxolan-2-yl]-1,3-dioxepan-4-yl]oxolan-2-yl]tridecyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R)-1-[(2R,5R)-5-[(4R,7S)-7-[(2S,5R)-5-[7-[(2S)-5-keto-2-methyl-2H-furan-4-yl]heptyl]tetrahydrofuran-2-yl]-1,3-dioxepan-4-yl]tetrahydrofuran-2-yl]tridecyl] ester Formula: C48H73F3O9 MolecularWeight: 851.08303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1CCC(O1)C2CCC(OCO2)C3CCC(O3)CCCCCCCC4=CC(OC4=O)C)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC

Isomeric SMILES

CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@H](OCO2)[C@@H]3CC[C@H](O3)CCCCCCCC4=C[C@@H](OC4=O)C)OC(=O)[C@](C5=CC=CC=C5)(C(F)(F)F)OC

InChI

InChI=1S/C48H73F3O9/c1-4-5-6-7-8-9-10-11-15-21-26-41(60-46(53)47(54-3,48(49,50)51)37-23-18-16-19-24-37)44-32-31-43(59-44)40-30-29-39(55-34-56-40)42-28-27-38(58-42)25-20-14-12-13-17-22-36-33-35(2)57-45(36)52/h16,18-19,23-24,33,35,38-44H,4-15,17,20-22,25-32,34H2,1-3H3/t35-,38+,39-,40+,41+,42-,43+,44+,47+/m0/s1