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

Systemtic Name: 3-butyl-1-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]-1H-1,2,4-triazol-1-ium Openeye Name: 3-butyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1H-1,2,4-triazol-1-ium CAS Name: 3-butyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1H-1,2,4-triazol-1-ium IUPAC Name: 3-butyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1H-1,2,4-triazol-1-ium Traditional Name: 3-butyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1H-1,2,4-triazol-1-ium Formula: C12H15F9N3+ MolecularWeight: 372.253229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=N[NH+](C=N1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCCCC1=N[NH+](C=N1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12H14F9N3/c1-2-3-4-8-22-7-24(23-8)6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3/p+1