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butyl-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-[2,3,4,5-tetrakis(fluoranyl)phenyl]azanium; tetrakis[2,3,4,5,6,7,8,9,10-nonakis(fluoranyl)pyren-1-yl]boranuide

Systemtic Name:	butyl-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-[2,3,4,5-tetrakis(fluoranyl)phenyl]azanium; tetrakis[2,3,4,5,6,7,8,9,10-nonakis(fluoranyl)pyren-1-yl]boranuide
Openeye Name:	butyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5-tetrafluorophenyl)ammonium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)boranuide
CAS Name:	butyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5-tetrafluorophenyl)ammonium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoro-1-pyrenyl)boranuide
IUPAC Name:	butyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5-tetrafluorophenyl)azanium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)boranuide
Traditional Name:	butyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5-tetrafluorophenyl)ammonium; tetrakis(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)boranuide
Formula:	C₇₆H₁₁BF₄₅N
MolecularWeight:	1803.646384

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C2C3=C4C(=C(C(=C3C(=C1F)F)F)F)C(=C(C(=C4C(=C2F)F)F)F)F)(C5=C6C7=C8C(=C(C(=C7C(=C5F)F)F)F)C(=C(C(=C8C(=C6F)F)F)F)F)(C9=C1C2=C3C(=C(C(=C2C(=C9F)F)F)F)C(=C(C(=C3C(=C1F)F)F)F)F)C1=C2C3=C4C(=C(C(=C3C(=C1F)F)F)F)C(=C(C(=C4C(=C2F)F)F)F)F.CCCC[NH+](C1=CC(=C(C(=C1F)F)F)F)C(C(F)(F)F)(F)F

Isomeric SMILES

InChI

InChI=1S/C64BF36.C12H10F9N/c66-29-9-1-5-17(33(29)70)49(86)61(98)53(90)21(5)41(78)37(74)13(1)45(82)57(94)25(9)65(26-10-2-6-18(34(71)30(10)67)50(87)62(99)54(91)22(6)42(79)38(75)14(2)46(83)58(26)95,27-11-3-7-19(35(72)31(11)68)51(88)63(100)55(92)23(7)43(80)39(76)15(3)47(84)59(27)96)28-12-4-8-20(36(73)32(12)69)52(89)64(101)56(93)24(8)44(81)40(77)16(4)48(85)60(28)97;1-2-3-4-22(12(20,21)11(17,18)19)7-5-6(13)8(14)10(16)9(7)15/h;5H,2-4H2,1H3/q-1;/p+1

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