pyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: pyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: pyridin-1-ium; 2,2,2-trifluoroacetate CAS Name: pyridin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: pyridin-1-ium; 2,2,2-trifluoroacetate Traditional Name: pyridin-1-ium; 2,2,2-trifluoroacetate Formula: C14H12F6N2O4 MolecularWeight: 386.246499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/2C5H5N.2C2HF3O2/c2*1-2-4-6-5-3-1;2*3-2(4,5)1(6)7/h2*1-5H;2*(H,6,7)