[(1S,2S)-2-(3-phenylpropyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-(3-phenylpropyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-(3-phenylpropyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-(3-phenylpropyl)cyclohexyl] ester IUPAC Name: [(1S,2S)-2-(3-phenylpropyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-(3-phenylpropyl)cyclohexyl] ester Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCCC[C@H]2CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28O3S/c1-18-14-16-21(17-15-18)26(23,24)25-22-13-6-5-11-20(22)12-7-10-19-8-3-2-4-9-19/h2-4,8-9,14-17,20,22H,5-7,10-13H2,1H3/t20-,22-/m0/s1