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

Systemtic Name: [(2R,3S,4R,6S)-6-methoxy-2-methyl-4-oxidanyl-oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyl-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)O)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@H](O1)OC)O)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H20O6S/c1-9-4-6-11(7-5-9)21(16,17)20-14-10(2)19-13(18-3)8-12(14)15/h4-7,10,12-15H,8H2,1-3H3/t10-,12-,13+,14-/m1/s1