(4-tert-butylphenyl)-diphenyl-sulfanium; 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; 2-(trifluoromethyl)benzenesulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 2-(trifluoromethyl)benzenesulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 2-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; 2-(trifluoromethyl)benzenesulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 2-(trifluoromethyl)besylate Formula: C29H27F3O3S2 MolecularWeight: 544.64809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/C22H23S.C7H5F3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h4-17H,1-3H3;1-4H,(H,11,12,13)/q+1;/p-1