[(2R,6R)-2,6-dimethyl-8-oxidanyl-octyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,6R)-2,6-dimethyl-8-oxidanyl-octyl] 4-methylbenzenesulfonate Openeye Name: [(2R,6R)-8-hydroxy-2,6-dimethyl-octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,6R)-8-hydroxy-2,6-dimethyloctyl] ester IUPAC Name: [(2R,6R)-8-hydroxy-2,6-dimethyloctyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,6R)-8-hydroxy-2,6-dimethyl-octyl] ester Formula: C17H28O4S MolecularWeight: 328.46682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O4S/c1-14(11-12-18)5-4-6-16(3)13-21-22(19,20)17-9-7-15(2)8-10-17/h7-10,14,16,18H,4-6,11-13H2,1-3H3/t14-,16-/m1/s1