(4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: (4-methoxy-3,5-dimethylphenyl)-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: (4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfonium triflate Formula: C22H21F3O4S2 MolecularWeight: 470.52495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21OS.CHF3O3S/c1-16-14-20(15-17(2)21(16)22-3)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19;2-1(3,4)8(5,6)7/h4-15H,1-3H3;(H,5,6,7)/q+1;/p-1