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

Systemtic Name: [(Z,2R)-8-cyclooctyl-2-oxidanyl-8-oxidanylidene-oct-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z,2R)-8-cyclooctyl-2-hydroxy-8-oxo-oct-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z,2R)-8-cyclooctyl-2-hydroxy-8-oxooct-3-enyl] ester IUPAC Name: [(Z,2R)-8-cyclooctyl-2-hydroxy-8-oxooct-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z,2R)-8-cyclooctyl-2-hydroxy-8-keto-oct-3-enyl] ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C=CCCCC(=O)C2CCCCCCC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](/C=C\CCCC(=O)C2CCCCCCC2)O

InChI

InChI=1S/C23H34O5S/c1-19-14-16-22(17-15-19)29(26,27)28-18-21(24)12-8-5-9-13-23(25)20-10-6-3-2-4-7-11-20/h8,12,14-17,20-21,24H,2-7,9-11,13,18H2,1H3/b12-8-/t21-/m1/s1