[(1S,2S)-2-chloranylcyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-chloranylcyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-chlorocyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-chlorocyclohexyl] ester IUPAC Name: [(1S,2S)-2-chlorocyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-chlorocyclohexyl] ester Formula: C13H17ClO3S MolecularWeight: 288.79028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO3S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h6-9,12-13H,2-5H2,1H3/t12-,13-/m0/s1