[(2R,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-oxidanyl-5-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-oxidanyl-5-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5S,6R)-5-benzyloxy-2-ethylsulfanyl-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-2-(ethylthio)-4-hydroxy-6-(hydroxymethyl)-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-2-ethylsulfanyl-4-hydroxy-6-(hydroxymethyl)-5-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-5-benzoxy-2-(ethylthio)-4-hydroxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)CO)OCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCS[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26O6S/c1-2-29-22-20(28-21(25)16-11-7-4-8-12-16)18(24)19(17(13-23)27-22)26-14-15-9-5-3-6-10-15/h3-12,17-20,22-24H,2,13-14H2,1H3/t17-,18+,19-,20-,22-/m1/s1