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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H19S.C8H4F6O3S/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h3-16H,2H2,1H3;1-3H,(H,15,16,17)/q+1;/p-1