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

Systemtic Name: [(3R,4R,5R,6S)-5-oxidanyl-4-(phenylcarbonyloxy)-6-propan-2-ylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(3R,4R,5R,6S)-4-benzoyloxy-5-hydroxy-6-isopropylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3R,4R,5R,6S)-4-benzoyloxy-5-hydroxy-6-(propan-2-ylthio)-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6S)-4-benzoyloxy-5-hydroxy-6-propan-2-ylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4R,5R,6S)-4-benzoyloxy-5-hydroxy-6-(isopropylthio)tetrahydropyran-3-yl] ester Formula: C22H24O6S MolecularWeight: 416.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1C(C(C(CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)S[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H24O6S/c1-14(2)29-22-18(23)19(28-21(25)16-11-7-4-8-12-16)17(13-26-22)27-20(24)15-9-5-3-6-10-15/h3-12,14,17-19,22-23H,13H2,1-2H3/t17-,18-,19+,22+/m1/s1