Chem
J-GLOBAL ID：200907032381511994   Nikkaji number：J1.774.866A

1,4-Bis[2,5-dimethoxy-4-[2-(1-methylpyridinium-4-yl)ethenyl]phenyl]-1,3-butadiyne

1,4-ビス[2,5-ジメトキシ-4-[2-(1-メチルピリジニウム-4-イル)エテニル]フェニル]-1,3-ブタジイン
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： C36H34[N+]2O4
Molecular formula furigana： C36-H34-N2-O4
Molecular weight： 558.677
InChI： InChI=1S/C36H34N2O4/c1-37-19-15-27(16-20-37)11-13-31-25-33(39-3)29(23-35(31)41-5)9-7-8-10-30-24-36(42-6)32(26-34(30)40-4)14-12-28-17-21-38(2)22-18-28/h11-26H,1-6H3/q+2
InChI key： WKWAZWFFNVCKAB-UHFFFAOYSA-N
SMILES： COc1cc(C#CC#Cc2cc(OC)c(C=Cc3cc[n+](C)cc3)cc2OC)c(OC)cc1C=Cc1cc[n+](C)cc1
Systematic name  (14)：
  • 4,4′-[(1,3-ブタジイン-1,4-ジイル)ビス(2,5-ジメトキシ-4,1-フェニレンエテン-2,1-ジイル)]ビス(1-メチルピリジニウム)
  • 4,4′-[1,3-ブタジイン-1,4-ジイルビス(2,5-ジメトキシ-4,1-フェニレン)ビス(1,2-エテンジイル)]ビス(1-メチルピリジニウム)
  • 4,4′-[(1,3-ブタジイン-1,4-ジイル)ビス[(2,5-ジメトキシ-p-フェニレン)(エテン-1,2-ジイル)]]ビス(1-メチルピリジニウム)
  • 1,4-ビス[2,5-ジメトキシ-4-[2-(1-メチルピリジニウム-4-イル)エテニル]フェニル]-1,3-ブタジイン
  • 4,4′-[1,3-ブタジイン-1,4-ジイルビス[2,5-ジメトキシ-4,1-フェニレン(エテン-2,1-ジイル)]]ビス(1-メチルピリジニウム)
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Other name (12)：
  • 4,4′-[(1,3-Butadiyne-1,4-diyl)bis(2,5-dimethoxy-4,1-phenyleneethene-2,1-diyl)]bis(1-methylpyridinium)
  • 4,4′-[1,3-Butadiyne-1,4-diylbis(2,5-dimethoxy-4,1-phenylene)bis(1,2-ethenediyl)]bis(1-methylpyridinium)
  • 4,4′-[(1,3-Butadiyne-1,4-diyl)bis[(2,5-dimethoxy-p-phenylene)(ethene-1,2-diyl)]]bis(1-methylpyridinium)
  • 1,4-Bis[2,5-dimethoxy-4-[2-(1-methylpyridinium-4-yl)ethenyl]phenyl]-1,3-butadiyne
  • 4,4′-[1,3-Butadiyne-1,4-diylbis[2,5-dimethoxy-4,1-phenylene(ethene-2,1-diyl)]]bis(1-methylpyridinium)
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