(3-methylphenyl)-triphenyl-phosphanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-methylphenyl)-triphenyl-phosphanium; tris(fluoranyl)methanesulfonate Openeye Name: m-tolyl(triphenyl)phosphonium; trifluoromethanesulfonate CAS Name: (3-methylphenyl)-triphenylphosphonium; trifluoromethanesulfonate IUPAC Name: (3-methylphenyl)-triphenylphosphanium; trifluoromethanesulfonate Traditional Name: m-tolyl(triphenyl)phosphonium triflate Formula: C26H22F3O3PS MolecularWeight: 502.485051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H22P.CHF3O3S/c1-21-12-11-19-25(20-21)26(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;2-1(3,4)8(5,6)7/h2-20H,1H3;(H,5,6,7)/q+1;/p-1