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

Systemtic Name: [(2S,3R,4S,5S)-5-acetyloxy-4-oxidanyl-2-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5S)-5-acetoxy-2-benzyloxy-4-hydroxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5S)-5-acetyloxy-4-hydroxy-2-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S)-5-acetyloxy-4-hydroxy-2-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5S)-5-acetoxy-2-benzoxy-4-hydroxy-tetrahydropyran-3-yl] ester Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1O)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22O7/c1-14(22)27-17-13-26-21(25-12-15-8-4-2-5-9-15)19(18(17)23)28-20(24)16-10-6-3-7-11-16/h2-11,17-19,21,23H,12-13H2,1H3/t17-,18-,19+,21-/m0/s1