diphenyl-(4-propan-2-ylphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-isopropylphenyl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: diphenyl-(4-propan-2-ylphenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: p-cumenyl(diphenyl)sulfonium triflate Formula: C22H21F3O3S2 MolecularWeight: 454.52555

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C21H21S.CHF3O3S/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;2-1(3,4)8(5,6)7/h3-17H,1-2H3;(H,5,6,7)/q+1;/p-1