Chem
J-GLOBAL ID：200907044392856258   Nikkaji number：J637.671A

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

1-(ドデシルオキシ)-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： C28H33[N+]O2[O-]
Molecular formula furigana： C28-H33-N-O3
Molecular weight： 431.576
InChI： InChI=1S/C28H33NO3/c1-2-3-4-5-6-7-8-9-10-13-24-32-28-22-18-26(19-23-28)15-12-11-14-25-16-20-27(21-17-25)29(30)31/h16-23H,2-10,13,24H2,1H3
InChI key： KWLZJGYBNVKACD-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 4-ドデシルオキシ-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-(ドデシルオキシ)-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-(dodecyloxy)-4-[4-(4-nitrophenyl)buta-1,3-diyn-1-yl]benzene
Other name (1)：
  • 4-Dodecyloxy-4′-nitro[1,1′-(1,3-butadiyne-1,4-diyl)bisbenzene]
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