[(3S,5R)-3,5-bis(oxidanyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,5R)-3,5-bis(oxidanyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(3S,5R)-3,5-dihydroxycyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,5R)-3,5-dihydroxycyclohexyl] ester IUPAC Name: [(3S,5R)-3,5-dihydroxycyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,5R)-3,5-dihydroxycyclohexyl] ester Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C[C@@H](C[C@@H](C2)O)O

InChI

InChI=1S/C13H18O5S/c1-9-2-4-13(5-3-9)19(16,17)18-12-7-10(14)6-11(15)8-12/h2-5,10-12,14-15H,6-8H2,1H3/t10-,11+,12?