[(2S,4R)-2-methyl-2,4-bis(oxidanyl)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R)-2-methyl-2,4-bis(oxidanyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,4R)-2,4-dihydroxy-2-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R)-2,4-dihydroxy-2-methylpentyl] ester IUPAC Name: [(2S,4R)-2,4-dihydroxy-2-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R)-2,4-dihydroxy-2-methyl-pentyl] ester Formula: C13H20O5S MolecularWeight: 288.3599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CC(C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H20O5S/c1-10-4-6-12(7-5-10)19(16,17)18-9-13(3,15)8-11(2)14/h4-7,11,14-15H,8-9H2,1-3H3/t11-,13+/m1/s1