(4-butylphenyl)-diphenyl-sulfanium; 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-butylphenyl)-diphenyl-sulfanium; 3-(trifluoromethyl)benzenesulfonate Openeye Name: (4-butylphenyl)-diphenyl-sulfonium; 3-(trifluoromethyl)benzenesulfonate CAS Name: (4-butylphenyl)-diphenylsulfonium; 3-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-butylphenyl)-diphenylsulfanium; 3-(trifluoromethyl)benzenesulfonate Traditional Name: (4-butylphenyl)-diphenyl-sulfonium; 3-(trifluoromethyl)besylate Formula: C29H27F3O3S2 MolecularWeight: 544.64809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC(=C1)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC(=C1)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C22H23S.C7H5F3O3S/c1-2-3-10-19-15-17-22(18-16-19)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21;8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h4-9,11-18H,2-3,10H2,1H3;1-4H,(H,11,12,13)/q+1;/p-1