[(Z,2R)-8-cyclohexyl-2-oxidanyl-8-oxidanylidene-oct-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z,2R)-8-cyclohexyl-2-oxidanyl-8-oxidanylidene-oct-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z,2R)-8-cyclohexyl-2-hydroxy-8-oxo-oct-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z,2R)-8-cyclohexyl-2-hydroxy-8-oxooct-3-enyl] ester IUPAC Name: [(Z,2R)-8-cyclohexyl-2-hydroxy-8-oxooct-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z,2R)-8-cyclohexyl-2-hydroxy-8-keto-oct-3-enyl] ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C=CCCCC(=O)C2CCCCC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](/C=C\CCCC(=O)C2CCCCC2)O

InChI

InChI=1S/C21H30O5S/c1-17-12-14-20(15-13-17)27(24,25)26-16-19(22)10-6-3-7-11-21(23)18-8-4-2-5-9-18/h6,10,12-15,18-19,22H,2-5,7-9,11,16H2,1H3/b10-6-/t19-/m1/s1