[(2S,3R,4S,5R)-2-methoxy-4,5-bis(oxidanyl)oxan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R,4S,5R)-2-methoxy-4,5-bis(oxidanyl)oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R,4S,5R)-4,5-dihydroxy-2-methoxy-tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R,4S,5R)-4,5-dihydroxy-2-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R)-4,5-dihydroxy-2-methoxyoxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R,4S,5R)-4,5-dihydroxy-2-methoxy-tetrahydropyran-3-yl] ester Formula: C13H18O7S MolecularWeight: 318.34282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(COC2OC)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@@H](CO[C@@H]2OC)O)O

InChI

InChI=1S/C13H18O7S/c1-8-3-5-9(6-4-8)21(16,17)20-12-11(15)10(14)7-19-13(12)18-2/h3-6,10-15H,7H2,1-2H3/t10-,11+,12-,13+/m1/s1