[(2R,3R,4S,5R,6S)-4,5-dimethoxy-3-oxidanyl-6-phenylsulfanyl-oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R,4S,5R,6S)-4,5-dimethoxy-3-oxidanyl-6-phenylsulfanyl-oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R,4S,5R,6S)-3-hydroxy-4,5-dimethoxy-6-phenylsulfanyl-tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,4S,5R,6S)-3-hydroxy-4,5-dimethoxy-6-(phenylthio)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3-hydroxy-4,5-dimethoxy-6-phenylsulfanyloxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,4S,5R,6S)-3-hydroxy-4,5-dimethoxy-6-(phenylthio)tetrahydropyran-2-yl]methyl ester Formula: C21H26O7S2 MolecularWeight: 454.55694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O7S2/c1-14-9-11-16(12-10-14)30(23,24)27-13-17-18(22)19(25-2)20(26-3)21(28-17)29-15-7-5-4-6-8-15/h4-12,17-22H,13H2,1-3H3/t17-,18-,19+,20-,21+/m1/s1