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

Systemtic Name: diphenyl-(4-propylphenyl)sulfanium; 3-(trifluoromethyl)benzenesulfonate Openeye Name: diphenyl-(4-propylphenyl)sulfonium; 3-(trifluoromethyl)benzenesulfonate CAS Name: diphenyl-(4-propylphenyl)sulfonium; 3-(trifluoromethyl)benzenesulfonate IUPAC Name: diphenyl-(4-propylphenyl)sulfanium; 3-(trifluoromethyl)benzenesulfonate Traditional Name: diphenyl-(4-propylphenyl)sulfonium; 3-(trifluoromethyl)besylate Formula: C28H25F3O3S2 MolecularWeight: 530.62151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C21H21S.C7H5F3O3S/c1-2-9-18-14-16-21(17-15-18)22(19-10-5-3-6-11-19)20-12-7-4-8-13-20;8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h3-8,10-17H,2,9H2,1H3;1-4H,(H,11,12,13)/q+1;/p-1