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ethyl-(5-ethyl-2-methyl-octyl)azanium; 1,2,3,4,5-pentakis(fluoranyl)-6-(2-fluorophenyl)benzene; 1,2,3,4,5-pentakis(fluoranyl)-6-[2,3,4-tris(fluoranyl)phenyl]benzene; borate

Systemtic Name:	ethyl-(5-ethyl-2-methyl-octyl)azanium; 1,2,3,4,5-pentakis(fluoranyl)-6-(2-fluorophenyl)benzene; 1,2,3,4,5-pentakis(fluoranyl)-6-[2,3,4-tris(fluoranyl)phenyl]benzene; borate
Openeye Name:	ethyl-(5-ethyl-2-methyl-octyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene; 1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene; borate
CAS Name:	ethyl-(5-ethyl-2-methyloctyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene; 1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene; borate
IUPAC Name:	ethyl-(5-ethyl-2-methyloctyl)azanium; 1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene; 1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene; borate
Traditional Name:	ethyl-(5-ethyl-2-methyl-octyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene; 1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene; borate
Formula:	C₁₂₃H₁₁₀BF₅₀N₃O₃
MolecularWeight:	2638.93896

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].CCCC(CC)CCC(C)C[NH2+]CC.CCCC(CC)CCC(C)C[NH2+]CC.CCCC(CC)CCC(C)C[NH2+]CC.C1=CC=C(C(=C1)C2=C(C(=C(C(=C2F)F)F)F)F)F.C1=CC=C(C(=C1)C2=C(C(=C(C(=C2F)F)F)F)F)F.C1=CC=C(C(=C1)C2=C(C(=C(C(=C2F)F)F)F)F)F.C1=CC(=C(C(=C1C2=C(C(=C(C(=C2F)F)F)F)F)F)F)F.C1=CC(=C(C(=C1C2=C(C(=C(C(=C2F)F)F)F)F)F)F)F.C1=CC(=C(C(=C1C2=C(C(=C(C(=C2F)F)F)F)F)F)F)F.C1=CC(=C(C(=C1C2=C(C(=C(C(=C2F)F)F)F)F)F)F)F

Isomeric SMILES

InChI

InChI=1S/3C13H29N.4C12H2F8.3C12H4F6.BO3/c3*1-5-8-13(6-2)10-9-12(4)11-14-7-3;4*13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17;3*13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15;2-1(3)4/h3*12-14H,5-11H2,1-4H3;4*1-2H;3*1-4H;/q;;;;;;;;;;-3/p+3

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