2,4-bis(trifluoromethyl)benzenesulfonate; (3,5-dimethylphenyl)-diphenyl-sulfanium

Systemtic Name: 2,4-bis(trifluoromethyl)benzenesulfonate; (3,5-dimethylphenyl)-diphenyl-sulfanium Openeye Name: 2,4-bis(trifluoromethyl)benzenesulfonate; (3,5-dimethylphenyl)-diphenyl-sulfonium CAS Name: 2,4-bis(trifluoromethyl)benzenesulfonate; (3,5-dimethylphenyl)-diphenylsulfonium IUPAC Name: 2,4-bis(trifluoromethyl)benzenesulfonate; (3,5-dimethylphenyl)-diphenylsulfanium Traditional Name: 2,4-bis(trifluoromethyl)besylate; (3,5-dimethylphenyl)-diphenyl-sulfonium Formula: C28H22F6O3S2 MolecularWeight: 584.592899

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(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H19S.C8H4F6O3S/c1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;9-7(10,11)4-1-2-6(18(15,16)17)5(3-4)8(12,13)14/h3-15H,1-2H3;1-3H,(H,15,16,17)/q+1;/p-1