[(1R,2R)-2,5,5-trideuterio-2-(4-methylphenyl)sulfonyloxy-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R)-2,5,5-trideuterio-2-(4-methylphenyl)sulfonyloxy-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R)-2,5,5-trideuterio-2-(p-tolylsulfonyloxy)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R)-2,5,5-trideuterio-2-(4-methylphenyl)sulfonyloxycyclohexyl] ester IUPAC Name: [(1R,2R)-2,5,5-trideuterio-2-(4-methylphenyl)sulfonyloxycyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R)-2,5,5-trideuterio-2-tosyloxy-cyclohexyl] ester Formula: C20H24O6S2 MolecularWeight: 427.549445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

[2H][C@]1(CCC(C[C@H]1OS(=O)(=O)C2=CC=C(C=C2)C)([2H])[2H])OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H24O6S2/c1-15-7-11-17(12-8-15)27(21,22)25-19-5-3-4-6-20(19)26-28(23,24)18-13-9-16(2)10-14-18/h7-14,19-20H,3-6H2,1-2H3/t19-,20-/m1/s1/i3D2,20D