1-phenyl-2-thiophen-1-ium-1-yl-ethanone; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-phenyl-2-thiophen-1-ium-1-yl-ethanone; tris(fluoranyl)methanesulfonate Openeye Name: 1-phenyl-2-thiophen-1-ium-1-yl-ethanone; trifluoromethanesulfonate CAS Name: 1-phenyl-2-(1-thiophen-1-iumyl)ethanone; trifluoromethanesulfonate IUPAC Name: 1-phenyl-2-thiophen-1-ium-1-ylethanone; trifluoromethanesulfonate Traditional Name: 1-phenyl-2-thiophen-1-ium-1-yl-ethanone triflate Formula: C13H11F3O4S2 MolecularWeight: 352.34925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[S+]2C=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[S+]2C=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H11OS.CHF3O3S/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2-1(3,4)8(5,6)7/h1-9H,10H2;(H,5,6,7)/q+1;/p-1