Chem
J-GLOBAL ID：202007021386214978   Nikkaji number：J3.748.139D

1,3-bis({3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propyl})imidazol-1-ium

1,3-ビス({3-[トリス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)シリル]プロピル})イミダゾール-1-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C57H39F78N2Si2
Molecular formula furigana： C57-H39-F78-N2-SI2
Molecular weight： 2289.998
InChI： InChI=1S/C57H39F78N2Si2/c58-22(59,28(70,71)34(82,83)40(94,95)46(106,107)52(118,119)120)3-15-138(16-4-23(60,61)29(72,73)35(84,85)41(96,97)47(108,109)53(121,122)123,17-5-24(62,63)30(74,75)36(86,87)42(98,99)48(110,111)54(124,125)126)13-1-9-136-11-12-137(21-136)10-2-14-139(18-6-25(64,65)31(76,77)37(88,89)43(100,101)49(112,113)55(127,128)129,19-7-26(66,67)32(78,79)38(90,91)44(102,103)50(114,115)56(130,131)132)20-8-27(68,69)33(80,81)39(92,93)45(104,105)51(116,117)57(133,134)135/h11-12,21H,1-10,13-20H2/q+1
InChI key： MRGLVPHSTJGHAU-UHFFFAOYSA-N
SMILES： n1(c[n+](cc1)CCC[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Systematic name  (3)：
  • 1,3-ビス[3-[トリス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)シリル]プロピル]-1H-イミダゾール-3-イウム
  • 1,3-ビス({3-[トリス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)シリル]プロピル})-1H-イミダゾール-3-イウム
  • 1,3-bis({3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propyl})-1H-imidazol-3-ium
Other name (2)：
  • 1,3-ビス({3-[トリス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)シリル]プロピル})イミダゾール-1-イウム
  • 1,3-bis({3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propyl})imidazol-1-ium
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