[(2S)-5-methyl-2,5-bis(oxidanyl)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-5-methyl-2,5-bis(oxidanyl)hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2,5-dihydroxy-5-methyl-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2,5-dihydroxy-5-methylhexyl] ester IUPAC Name: [(2S)-2,5-dihydroxy-5-methylhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2,5-dihydroxy-5-methyl-hexyl] ester Formula: C14H22O5S MolecularWeight: 302.38648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O5S/c1-11-4-6-13(7-5-11)20(17,18)19-10-12(15)8-9-14(2,3)16/h4-7,12,15-16H,8-10H2,1-3H3/t12-/m0/s1