diphenyl-[4-(trifluoromethyl)phenyl]sulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: diphenyl-[4-(trifluoromethyl)phenyl]sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: diphenyl-[4-(trifluoromethyl)phenyl]sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: diphenyl-[4-(trifluoromethyl)phenyl]sulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: diphenyl-[4-(trifluoromethyl)phenyl]sulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: diphenyl-[4-(trifluoromethyl)phenyl]sulfonium; 4-(trifluoromethyl)besylate Formula: C26H18F6O3S2 MolecularWeight: 556.539739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3S.C7H5F3O3S/c20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-14H;1-4H,(H,11,12,13)/q+1;/p-1