(4-tert-butylphenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium triflate Formula: C23H23F3O3S2 MolecularWeight: 468.55213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23S.CHF3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1