9-phenyl-10-(2-phenylethynyl)acridin-10-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 9-phenyl-10-(2-phenylethynyl)acridin-10-ium; tris(fluoranyl)methanesulfonate Openeye Name: 9-phenyl-10-(2-phenylethynyl)acridin-10-ium; trifluoromethanesulfonate CAS Name: 9-phenyl-10-(2-phenylethynyl)acridin-10-ium; trifluoromethanesulfonate IUPAC Name: 9-phenyl-10-(2-phenylethynyl)acridin-10-ium; trifluoromethanesulfonate Traditional Name: 9-phenyl-10-(2-phenylethynyl)acridin-10-ium triflate Formula: C28H18F3NO3S MolecularWeight: 505.50763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#C[N+]2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#C[N+]2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C27H18N.CHF3O3S/c1-3-11-21(12-4-1)19-20-28-25-17-9-7-15-23(25)27(22-13-5-2-6-14-22)24-16-8-10-18-26(24)28;2-1(3,4)8(5,6)7/h1-18H;(H,5,6,7)/q+1;/p-1