[(E,2S)-8-cycloheptyl-2-oxidanyl-8-oxidanylidene-oct-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2S)-8-cycloheptyl-2-oxidanyl-8-oxidanylidene-oct-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2S)-8-cycloheptyl-2-hydroxy-8-oxo-oct-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2S)-8-cycloheptyl-2-hydroxy-8-oxooct-3-enyl] ester IUPAC Name: [(E,2S)-8-cycloheptyl-2-hydroxy-8-oxooct-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2S)-8-cycloheptyl-2-hydroxy-8-keto-oct-3-enyl] ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C=CCCCC(=O)C2CCCCCC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](/C=C/CCCC(=O)C2CCCCCC2)O

InChI

InChI=1S/C22H32O5S/c1-18-13-15-21(16-14-18)28(25,26)27-17-20(23)11-7-4-8-12-22(24)19-9-5-2-3-6-10-19/h7,11,13-16,19-20,23H,2-6,8-10,12,17H2,1H3/b11-7+/t20-/m0/s1