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

Systemtic Name: phenanthren-1-yl(diphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: 1-phenanthryl(diphenyl)sulfonium; trifluoromethanesulfonate CAS Name: 1-phenanthrenyl(diphenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: phenanthren-1-yl(diphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: 1-phenanthryl(diphenyl)sulfonium triflate Formula: C27H19F3O3S2 MolecularWeight: 512.56317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=C3C=CC5=CC=CC=C54.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=C3C=CC5=CC=CC=C54.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H19S.CHF3O3S/c1-3-11-21(12-4-1)27(22-13-5-2-6-14-22)26-17-9-16-24-23-15-8-7-10-20(23)18-19-25(24)26;2-1(3,4)8(5,6)7/h1-19H;(H,5,6,7)/q+1;/p-1