(4-butoxyphenyl)-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-butoxyphenyl)-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-butoxyphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: (4-butoxyphenyl)-diphenylsulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-butoxyphenyl)-diphenylsulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: (4-butoxyphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)besylate Formula: C29H27F3O4S2 MolecularWeight: 560.64749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23OS.C7H5F3O3S/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h4-17H,2-3,18H2,1H3;1-4H,(H,11,12,13)/q+1;/p-1