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

Systemtic Name: [(2S,3R,4R,5S,6R)-2-methoxy-6-methyl-3-(phenylcarbonyloxy)-5-sulfanyl-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6R)-3-benzoyloxy-2-methoxy-6-methyl-5-sulfanyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6R)-3-benzoyloxy-5-mercapto-2-methoxy-6-methyl-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-3-benzoyloxy-2-methoxy-6-methyl-5-sulfanyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6R)-3-benzoyloxy-5-mercapto-2-methoxy-6-methyl-tetrahydropyran-4-yl] ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S/c1-13-18(28)16(26-19(22)14-9-5-3-6-10-14)17(21(24-2)25-13)27-20(23)15-11-7-4-8-12-15/h3-13,16-18,21,28H,1-2H3/t13-,16-,17-,18+,21+/m1/s1