tris(fluoranyl)methanesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: tris(fluoranyl)methanesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: trifluoromethanesulfonate; tris-p-tolylsulfonium CAS Name: trifluoromethanesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: trifluoromethanesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: tris-p-tolylsulfonium triflate Formula: C22H21F3O3S2 MolecularWeight: 454.52555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21S.CHF3O3S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2-1(3,4)8(5,6)7/h4-15H,1-3H3;(H,5,6,7)/q+1;/p-1