[(2R,3R,4S,6S)-2-methyl-6-oxidanyl-3-(phenylcarbonylsulfanyl)oxan-4-yl] benzoate

Systemtic Name: [(2R,3R,4S,6S)-2-methyl-6-oxidanyl-3-(phenylcarbonylsulfanyl)oxan-4-yl] benzoate Openeye Name: [(2R,3R,4S,6S)-3-benzoylsulfanyl-6-hydroxy-2-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,6S)-3-(benzoylthio)-6-hydroxy-2-methyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,6S)-3-benzoylsulfanyl-6-hydroxy-2-methyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,6S)-3-(benzoylthio)-6-hydroxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)O)OC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C[C@H](O1)O)OC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O5S/c1-13-18(26-20(23)15-10-6-3-7-11-15)16(12-17(21)24-13)25-19(22)14-8-4-2-5-9-14/h2-11,13,16-18,21H,12H2,1H3/t13-,16+,17+,18-/m1/s1