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

Systemtic Name: (2-butoxyphenyl)-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (2-butoxyphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: (2-butoxyphenyl)-diphenylsulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: (2-butoxyphenyl)-diphenylsulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: (2-butoxyphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)besylate Formula: C29H27F3O4S2 MolecularWeight: 560.64749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=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=CC=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/c1-2-3-18-23-21-16-10-11-17-22(21)24(19-12-6-4-7-13-19)20-14-8-5-9-15-20;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