[(1S,2S,3R,4S,5R,6R)-3-fluoranyl-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate

Systemtic Name: [(1S,2S,3R,4S,5R,6R)-3-fluoranyl-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate Openeye Name: [(1S,2R,3R,4S,5R,6S)-2,3,4,6-tetrabenzyloxy-5-fluoro-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2S,3R,4S,5R,6R)-3-fluoro-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] ester IUPAC Name: [(1S,2S,3R,4S,5R,6R)-3-fluoro-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,3R,4S,5R,6S)-2,3,4,6-tetrabenzoxy-5-fluoro-cyclohexyl] ester Formula: C41H39FO6 MolecularWeight: 646.743163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(C(C(C2OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)F)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)F)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C41H39FO6/c42-35-36(44-26-30-16-6-1-7-17-30)38(46-28-32-20-10-3-11-21-32)39(47-29-33-22-12-4-13-23-33)40(48-41(43)34-24-14-5-15-25-34)37(35)45-27-31-18-8-2-9-19-31/h1-25,35-40H,26-29H2/t35-,36-,37-,38+,39-,40-/m1/s1