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

Systemtic Name: [(1S,2S)-2-(phenylmethyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-benzylcyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-(phenylmethyl)cyclohexyl] ester IUPAC Name: [(1S,2S)-2-benzylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-benzylcyclohexyl] ester Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCCC[C@H]2CC3=CC=CC=C3

InChI

InChI=1S/C20H24O3S/c1-16-11-13-19(14-12-16)24(21,22)23-20-10-6-5-9-18(20)15-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20H,5-6,9-10,15H2,1H3/t18-,20-/m0/s1