N-phenylaniline; tris(fluoranyl)methanesulfonic acid

Systemtic Name: N-phenylaniline; tris(fluoranyl)methanesulfonic acid Openeye Name: N-phenylaniline; trifluoromethanesulfonic acid CAS Name: N-phenylaniline; trifluoromethanesulfonic acid IUPAC Name: N-phenylaniline; trifluoromethanesulfonic acid Traditional Name: diphenylamine; triflic acid Formula: C13H12F3NO3S MolecularWeight: 319.29949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C12H11N.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13H;(H,5,6,7)