6-chloranyl-2-iodanyl-9H-purin-9-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 6-chloranyl-2-iodanyl-9H-purin-9-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 6-chloro-2-iodo-9H-purin-9-ium; 2,2,2-trifluoroacetate CAS Name: 6-chloro-2-iodo-9H-purin-9-ium; 2,2,2-trifluoroacetate IUPAC Name: 6-chloro-2-iodo-9H-purin-9-ium; 2,2,2-trifluoroacetate Traditional Name: 6-chloro-2-iodo-9H-purin-9-ium; 2,2,2-trifluoroacetate Formula: C7H3ClF3IN4O2 MolecularWeight: 394.477

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C([NH2+]1)N=C(N=C2Cl)I.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=NC2=C([NH2+]1)N=C(N=C2Cl)I.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C5H2ClIN4.C2HF3O2/c6-3-2-4(9-1-8-2)11-5(7)10-3;3-2(4,5)1(6)7/h1H,(H,8,9,10,11);(H,6,7)