[(2S,3S,4S,5R,6S)-2-(bromomethyl)-6-methoxy-3-oxidanyl-5-phenylmethoxy-oxan-4-yl] benzoate

Systemtic Name: [(2S,3S,4S,5R,6S)-2-(bromomethyl)-6-methoxy-3-oxidanyl-5-phenylmethoxy-oxan-4-yl] benzoate Openeye Name: [(2S,3S,4S,5R,6S)-5-benzyloxy-2-(bromomethyl)-3-hydroxy-6-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,5R,6S)-2-(bromomethyl)-3-hydroxy-6-methoxy-5-phenylmethoxy-4-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6S)-2-(bromomethyl)-3-hydroxy-6-methoxy-5-phenylmethoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,5R,6S)-5-benzoxy-2-(bromomethyl)-3-hydroxy-6-methoxy-tetrahydropyran-4-yl] ester Formula: C21H23BrO6 MolecularWeight: 451.30772

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CBr)O)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CBr)O)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrO6/c1-25-21-19(26-13-14-8-4-2-5-9-14)18(17(23)16(12-22)27-21)28-20(24)15-10-6-3-7-11-15/h2-11,16-19,21,23H,12-13H2,1H3/t16-,17-,18+,19-,21+/m1/s1