(2,6-dimethylphenyl)-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2,6-dimethylphenyl)-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (2,6-dimethylphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: (2,6-dimethylphenyl)-diphenylsulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: (2,6-dimethylphenyl)-diphenylsulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: (2,6-dimethylphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)besylate Formula: C27H23F3O3S2 MolecularWeight: 516.59493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H19S.C7H5F3O3S/c1-16-10-9-11-17(2)20(16)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h3-15H,1-2H3;1-4H,(H,11,12,13)/q+1;/p-1