[(1S)-2-methoxy-1-[(2R,3R,4R,5R)-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [(1S)-2-methoxy-1-[(2R,3R,4R,5R)-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate Openeye Name: [(1S)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl]-2-methoxy-2-oxo-ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(1S)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methoxy-2-oxolanyl]-2-methoxy-2-oxoethyl] ester IUPAC Name: [(1S)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-2-methoxy-2-oxoethyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(1S)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl]-2-keto-2-methoxy-ethyl] ester Formula: C16H17F3O8 MolecularWeight: 394.29659

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(O1)C(C(=O)OC)OC(=O)C2=CC(=CC=C2)C(F)(F)F)O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)OC)OC(=O)C2=CC(=CC=C2)C(F)(F)F)O)O

InChI

InChI=1S/C16H17F3O8/c1-24-14(23)12(11-9(20)10(21)15(25-2)27-11)26-13(22)7-4-3-5-8(6-7)16(17,18)19/h3-6,9-12,15,20-21H,1-2H3/t9-,10-,11-,12+,15-/m1/s1