Chem
J-GLOBAL ID：200907018728906525   Nikkaji number：J637.670C

4-Decyloxy-4′-nitro[1,1′-(1,3-butadiyne-1,4-diyl)bisbenzene]

1-(デシルオキシ)-4-[4-(4-ニトロフェニル)ブタ-1,3-ジイン-1-イル]ベンゼン
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： C26H29[N+]O2[O-]
Molecular formula furigana： C26-H29-N-O3
Molecular weight： 403.522
InChI： InChI=1S/C26H29NO3/c1-2-3-4-5-6-7-8-11-22-30-26-20-16-24(17-21-26)13-10-9-12-23-14-18-25(19-15-23)27(28)29/h14-21H,2-8,11,22H2,1H3
InChI key： WMPKOZKVZDEGEE-UHFFFAOYSA-N
SMILES： CCCCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 4-デシルオキシ-4′-ニトロ[1,1′-(1,3-ブタジイン-1,4-ジイル)ビスベンゼン]
  • 1-(デシルオキシ)-4-[4-(4-ニトロフェニル)ブタ-1,3-ジイン-1-イル]ベンゼン
  • 1-(decyloxy)-4-[4-(4-nitrophenyl)buta-1,3-diyn-1-yl]benzene
Other name (1)：
  • 4-Decyloxy-4′-nitro[1,1′-(1,3-butadiyne-1,4-diyl)bisbenzene]
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