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

Systemtic Name: 1-heptyl-4-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]-1,2,4-triazol-4-ium iodide Openeye Name: 1-heptyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide CAS Name: 1-heptyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide IUPAC Name: 1-heptyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide Traditional Name: 1-heptyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium iodide Formula: C15H21F9IN3 MolecularWeight: 541.237439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=[N+](C=N1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[I-]

Isomeric SMILES

CCCCCCCN1C=[N+](C=N1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[I-]

InChI

InChI=1S/C15H21F9N3.HI/c1-2-3-4-5-6-8-27-11-26(10-25-27)9-7-12(16,17)13(18,19)14(20,21)15(22,23)24;/h10-11H,2-9H2,1H3;1H/q+1;/p-1