[(2S,3R,4R,5R,6S)-2-methyl-6-methylsulfanyl-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4R,5R,6S)-2-methyl-6-methylsulfanyl-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-methylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-(methylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-methylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-(methylthio)tetrahydropyran-3-yl] ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S/c1-13-17(26-19(23)14-9-5-3-6-10-14)16(22)18(21(25-13)28-2)27-20(24)15-11-7-4-8-12-15/h3-13,16-18,21-22H,1-2H3/t13-,16+,17-,18+,21-/m0/s1