[(2R)-3-(2,6-dimethoxyphenoxy)-2-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-(2,6-dimethoxyphenoxy)-2-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-(2,6-dimethoxyphenoxy)-2-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-(2,6-dimethoxyphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [(2R)-3-(2,6-dimethoxyphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-(2,6-dimethoxyphenoxy)-2-tosyloxy-propyl] ester Formula: C25H28O9S2 MolecularWeight: 536.61442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=C(C=CC=C2OC)OC)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](COC2=C(C=CC=C2OC)OC)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28O9S2/c1-18-8-12-21(13-9-18)35(26,27)33-17-20(34-36(28,29)22-14-10-19(2)11-15-22)16-32-25-23(30-3)6-5-7-24(25)31-4/h5-15,20H,16-17H2,1-4H3/t20-/m1/s1