N-methylbenzonitrilium; tris(fluoranyl)methanesulfonate

Systemtic Name: N-methylbenzonitrilium; tris(fluoranyl)methanesulfonate Openeye Name: N-methylbenzonitrilium; trifluoromethanesulfonate CAS Name: N-methylbenzonitrilium; trifluoromethanesulfonate IUPAC Name: N-methylbenzonitrilium; trifluoromethanesulfonate Traditional Name: N-methylbenzonitrilium triflate Formula: C9H8F3NO3S MolecularWeight: 267.22493

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]#CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]#CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H8N.CHF3O3S/c1-9-7-8-5-3-2-4-6-8;2-1(3,4)8(5,6)7/h2-6H,1H3;(H,5,6,7)/q+1;/p-1