[(1S,2R,3S,4S,6R)-3,4-diacetyloxy-2-phenylmethoxy-4-(phenylmethoxymethyl)-6-(trifluoromethylsulfonyloxy)cyclohexyl] ethanoate

Systemtic Name: [(1S,2R,3S,4S,6R)-3,4-diacetyloxy-2-phenylmethoxy-4-(phenylmethoxymethyl)-6-(trifluoromethylsulfonyloxy)cyclohexyl] ethanoate Openeye Name: [(1S,2R,3S,4S,6R)-3,4-diacetoxy-2-benzyloxy-4-(benzyloxymethyl)-6-(trifluoromethylsulfonyloxy)cyclohexyl] acetate CAS Name: acetic acid [(1S,2R,3S,4S,6R)-3,4-diacetyloxy-2-phenylmethoxy-4-(phenylmethoxymethyl)-6-(trifluoromethylsulfonyloxy)cyclohexyl] ester IUPAC Name: [(1S,2R,3S,4S,6R)-3,4-diacetyloxy-2-phenylmethoxy-4-(phenylmethoxymethyl)-6-(trifluoromethylsulfonyloxy)cyclohexyl] acetate Traditional Name: acetic acid [(1S,2R,3S,4S,6R)-3,4-diacetoxy-2-benzoxy-4-(benzoxymethyl)-6-triflyloxy-cyclohexyl] ester Formula: C28H31F3O11S MolecularWeight: 632.59935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC(C(C1OCC2=CC=CC=C2)OC(=O)C)(COCC3=CC=CC=C3)OC(=O)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](C[C@@]([C@H]([C@@H]1OCC2=CC=CC=C2)OC(=O)C)(COCC3=CC=CC=C3)OC(=O)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C28H31F3O11S/c1-18(32)39-24-23(42-43(35,36)28(29,30)31)14-27(41-20(3)34,17-37-15-21-10-6-4-7-11-21)26(40-19(2)33)25(24)38-16-22-12-8-5-9-13-22/h4-13,23-26H,14-17H2,1-3H3/t23-,24-,25-,26+,27+/m1/s1