[(2R,3S,5S)-5-acetyloxy-3-(phenylcarbonyloxy)thiolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5S)-5-acetyloxy-3-(phenylcarbonyloxy)thiolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5S)-5-acetoxy-3-benzoyloxy-tetrahydrothiophen-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5S)-5-acetyloxy-3-benzoyloxy-2-thiolanyl]methyl ester IUPAC Name: [(2R,3S,5S)-5-acetyloxy-3-benzoyloxythiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5S)-5-acetoxy-3-benzoyloxy-tetrahydrothiophen-2-yl]methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(S1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]([C@H](S1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20O6S/c1-14(22)26-19-12-17(27-21(24)16-10-6-3-7-11-16)18(28-19)13-25-20(23)15-8-4-2-5-9-15/h2-11,17-19H,12-13H2,1H3/t17-,18+,19-/m0/s1