[(1S,2R,3S,4R,5S)-3-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] benzoate

Systemtic Name: [(1S,2R,3S,4R,5S)-3-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] benzoate Openeye Name: [(1S,2R,3S,4R,5S)-3-benzyloxy-4-(trifluoromethylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] benzoate CAS Name: benzoic acid [(1S,2R,3S,4R,5S)-3-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] ester IUPAC Name: [(1S,2R,3S,4R,5S)-3-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] benzoate Traditional Name: benzoic acid [(1S,2R,3S,4R,5S)-3-benzoxy-4-triflyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] ester Formula: C21H19F3O8S MolecularWeight: 488.43097

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O1)O2)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H]2[C@H]([C@@H]([C@H]([C@@H](O1)O2)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19F3O8S/c22-21(23,24)33(26,27)32-18-17(28-11-13-7-3-1-4-8-13)16(15-12-29-20(18)30-15)31-19(25)14-9-5-2-6-10-14/h1-10,15-18,20H,11-12H2/t15-,16+,17-,18+,20-/m0/s1