Chem
J-GLOBAL ID：201707016304181822   Nikkaji number：J3.542.274I

1-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-1′-octadecyl-4,4′-bipyridinium

1-(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)-1′-オクタデシル-4,4′-ビピリジニウム
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： C42H64[N+]2O5
Molecular formula furigana： C42-H64-N2-O5
Molecular weight： 676.982
InChI： InChI=1S/C42H64N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-43-25-20-38(21-26-43)39-22-27-44(28-23-39)40-18-19-41-42(37-40)49-36-34-47-32-30-45-29-31-46-33-35-48-41/h18-23,25-28,37H,2-17,24,29-36H2,1H3/q+2
InChI key： FUHKPPNFILDIGG-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)c1ccc2OCCOCCOCCOCCOc2c1
Systematic name  (3)：
  • 1-(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)-1′-オクタデシル-4,4′-ビピリジニウム
  • 1'-オクタデシル-1-(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)-1λ5-[4,4'-ビピリジン]-1'-イウム-1-イリウム
  • 1'-octadecyl-1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-1λ5-[4,4'-bipyridin]-1'-ium-1-ylium
Other name (1)：
  • 1-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-1′-octadecyl-4,4′-bipyridinium
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