diphenyl(pyren-1-yl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: diphenyl(pyren-1-yl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: diphenyl(pyren-1-yl)sulfonium; trifluoromethanesulfonate CAS Name: diphenyl(1-pyrenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: diphenyl(pyren-1-yl)sulfanium; trifluoromethanesulfonate Traditional Name: diphenyl(pyren-1-yl)sulfonium triflate Formula: C29H19F3O3S2 MolecularWeight: 536.58457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H19S.CHF3O3S/c1-3-10-23(11-4-1)29(24-12-5-2-6-13-24)26-19-17-22-15-14-20-8-7-9-21-16-18-25(26)28(22)27(20)21;2-1(3,4)8(5,6)7/h1-19H;(H,5,6,7)/q+1;/p-1