[(2S)-2-cyclohexyl-2-(4-methylphenyl)sulfonyloxy-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-cyclohexyl-2-(4-methylphenyl)sulfonyloxy-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-cyclohexyl-2-(p-tolylsulfonyloxy)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-cyclohexyl-2-(4-methylphenyl)sulfonyloxyethyl] ester IUPAC Name: [(2S)-2-cyclohexyl-2-(4-methylphenyl)sulfonyloxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-cyclohexyl-2-tosyloxy-ethyl] ester Formula: C22H28O6S2 MolecularWeight: 452.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28O6S2/c1-17-8-12-20(13-9-17)29(23,24)27-16-22(19-6-4-3-5-7-19)28-30(25,26)21-14-10-18(2)11-15-21/h8-15,19,22H,3-7,16H2,1-2H3/t22-/m1/s1