[(3R,4R,5R,6R)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,4R,5R,6R)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxy-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl] ester Formula: C13H18O7S MolecularWeight: 318.34282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2COC(C(C2O)O)OC

Isomeric SMILES

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

InChI

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