1-butyl-4-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]-1,2,4-triazol-4-ium iodide

Systemtic Name: 1-butyl-4-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]-1,2,4-triazol-4-ium iodide Openeye Name: 1-butyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide CAS Name: 1-butyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide IUPAC Name: 1-butyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide Traditional Name: 1-butyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide Formula: C12H15F9IN3 MolecularWeight: 499.157699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C=N1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[I-]

Isomeric SMILES

CCCCN1C=[N+](C=N1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[I-]

InChI

InChI=1S/C12H15F9N3.HI/c1-2-3-5-24-8-23(7-22-24)6-4-9(13,14)10(15,16)11(17,18)12(19,20)21;/h7-8H,2-6H2,1H3;1H/q+1;/p-1