[(2R,3S,4S,6S)-6-methoxy-4-oxidanyl-3-(phenylmethylsulfanyl)oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S,4S,6S)-6-methoxy-4-oxidanyl-3-(phenylmethylsulfanyl)oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3S,4S,6S)-3-benzylsulfanyl-4-hydroxy-6-methoxy-tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4S,6S)-4-hydroxy-6-methoxy-3-(phenylmethylthio)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,6S)-3-benzylsulfanyl-4-hydroxy-6-methoxyoxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S,4S,6S)-3-(benzylthio)-4-hydroxy-6-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C21H26O6S2 MolecularWeight: 438.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(CC(O2)OC)O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@H](C[C@H](O2)OC)O)SCC3=CC=CC=C3

InChI

InChI=1S/C21H26O6S2/c1-15-8-10-17(11-9-15)29(23,24)26-13-19-21(18(22)12-20(25-2)27-19)28-14-16-6-4-3-5-7-16/h3-11,18-22H,12-14H2,1-2H3/t18-,19+,20-,21-/m0/s1