(phenylmethyl) (2S,3S,4S,5S,6R)-3,4,5-triacetyloxy-6-phenylsulfanyl-oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S,4S,5S,6R)-3,4,5-triacetyloxy-6-phenylsulfanyl-oxane-2-carboxylate Openeye Name: benzyl (2S,3S,4S,5S,6R)-3,4,5-triacetoxy-6-phenylsulfanyl-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylthio)-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,4S,5S,6R)-3,4,5-triacetyloxy-6-phenylsulfanyloxane-2-carboxylate Traditional Name: (2S,3S,4S,5S,6R)-3,4,5-triacetoxy-6-(phenylthio)tetrahydropyran-2-carboxylic acid benzyl ester Formula: C25H26O9S MolecularWeight: 502.53354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)SC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)C)SC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C25H26O9S/c1-15(26)31-20-21(32-16(2)27)23(33-17(3)28)25(35-19-12-8-5-9-13-19)34-22(20)24(29)30-14-18-10-6-4-7-11-18/h4-13,20-23,25H,14H2,1-3H3/t20-,21-,22-,23-,25+/m0/s1