[(2R,3R,6R)-3-oxidanyl-6-phenylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R,6R)-3-oxidanyl-6-phenylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R,6R)-3-hydroxy-6-phenylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,6R)-3-hydroxy-6-(phenylthio)-3,6-dihydro-2H-pyran-2-yl]methyl ester IUPAC Name: [(2R,3R,6R)-3-hydroxy-6-phenylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,6R)-3-hydroxy-6-(phenylthio)-3,6-dihydro-2H-pyran-2-yl]methyl ester Formula: C19H20O5S2 MolecularWeight: 392.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C=CC(O2)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H](C=C[C@H](O2)SC3=CC=CC=C3)O

InChI

InChI=1S/C19H20O5S2/c1-14-7-9-16(10-8-14)26(21,22)23-13-18-17(20)11-12-19(24-18)25-15-5-3-2-4-6-15/h2-12,17-20H,13H2,1H3/t17-,18-,19-/m1/s1