[(1R,2S)-2-oxidanyl-2-phenyl-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2S)-2-oxidanyl-2-phenyl-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S)-2-hydroxy-2-phenyl-cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2S)-2-hydroxy-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-hydroxy-2-phenylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S)-2-hydroxy-2-phenyl-cyclohexyl] ester Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2(C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4S/c1-15-10-12-17(13-11-15)24(21,22)23-18-9-5-6-14-19(18,20)16-7-3-2-4-8-16/h2-4,7-8,10-13,18,20H,5-6,9,14H2,1H3/t18-,19+/m1/s1