1-butyl-4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,2,4-triazol-4-ium hexafluorophosphate

Systemtic Name: 1-butyl-4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,2,4-triazol-4-ium hexafluorophosphate Openeye Name: 1-butyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium hexafluorophosphate CAS Name: 1-butyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium hexafluorophosphate IUPAC Name: 1-butyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium hexafluorophosphate Traditional Name: 1-butyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium hexafluorophosphate Formula: C14H15F19N3P MolecularWeight: 617.232422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F13N3.F6P/c1-2-3-5-30-8-29(7-28-30)6-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;1-7(2,3,4,5)6/h7-8H,2-6H2,1H3;/q+1;-1