[2-[3,5-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]-4,6-dimethyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[3,5-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]-4,6-dimethyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[3,5-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]-4,6-dimethyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[3,5-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]-4,6-dimethylphenyl] ester IUPAC Name: [2-[3,5-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]-4,6-dimethylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3,5-dimethyl-2-triflyloxy-phenyl)-4,6-dimethyl-phenyl] ester Formula: C24H23F3O6S2 MolecularWeight: 528.56103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C3=CC(=CC(=C3OS(=O)(=O)C(F)(F)F)C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C3=CC(=CC(=C3OS(=O)(=O)C(F)(F)F)C)C)C)C

InChI

InChI=1S/C24H23F3O6S2/c1-14-6-8-19(9-7-14)34(28,29)32-22-17(4)10-15(2)12-20(22)21-13-16(3)11-18(5)23(21)33-35(30,31)24(25,26)27/h6-13H,1-5H3