(3,5-dimethylphenyl)-diphenyl-sulfanium; 4-fluoranylbenzenesulfonate

Systemtic Name: (3,5-dimethylphenyl)-diphenyl-sulfanium; 4-fluoranylbenzenesulfonate Openeye Name: (3,5-dimethylphenyl)-diphenyl-sulfonium; 4-fluorobenzenesulfonate CAS Name: (3,5-dimethylphenyl)-diphenylsulfonium; 4-fluorobenzenesulfonate IUPAC Name: (3,5-dimethylphenyl)-diphenylsulfanium; 4-fluorobenzenesulfonate Traditional Name: (3,5-dimethylphenyl)-diphenyl-sulfonium; 4-fluorobesylate Formula: C26H23FO3S2 MolecularWeight: 466.587423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC(=CC=C1F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC(=CC=C1F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H19S.C6H5FO3S/c1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;7-5-1-3-6(4-2-5)11(8,9)10/h3-15H,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1