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

Systemtic Name: [(Z,2R)-8-cyclopentyl-2-oxidanyl-8-oxidanylidene-oct-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z,2R)-8-cyclopentyl-2-hydroxy-8-oxo-oct-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z,2R)-8-cyclopentyl-2-hydroxy-8-oxooct-3-enyl] ester IUPAC Name: [(Z,2R)-8-cyclopentyl-2-hydroxy-8-oxooct-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z,2R)-8-cyclopentyl-2-hydroxy-8-keto-oct-3-enyl] ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C=CCCCC(=O)C2CCCC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](/C=C\CCCC(=O)C2CCCC2)O

InChI

InChI=1S/C20H28O5S/c1-16-11-13-19(14-12-16)26(23,24)25-15-18(21)9-3-2-4-10-20(22)17-7-5-6-8-17/h3,9,11-14,17-18,21H,2,4-8,10,15H2,1H3/b9-3-/t18-/m1/s1