(4-ethylphenyl)-diphenyl-sulfanium; 2-(trifluoromethyl)benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H19S.C7H5F3O3S/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h3-16H,2H2,1H3;1-4H,(H,11,12,13)/q+1;/p-1