[(2R,3S)-3,7-dimethyl-2-oxidanyl-oct-6-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-3,7-dimethyl-2-oxidanyl-oct-6-enyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2-hydroxy-3,7-dimethyl-oct-6-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-hydroxy-3,7-dimethyloct-6-enyl] ester IUPAC Name: [(2R,3S)-2-hydroxy-3,7-dimethyloct-6-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-hydroxy-3,7-dimethyl-oct-6-enyl] ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O4S/c1-13(2)6-5-7-15(4)17(18)12-21-22(19,20)16-10-8-14(3)9-11-16/h6,8-11,15,17-18H,5,7,12H2,1-4H3/t15-,17-/m0/s1