Chem
J-GLOBAL ID：200907069769090320   Nikkaji number：J637.679G

1,1′-[1,3-Butadiyne-1,4-diylbis(4,1-phenylene)bisoxy]bisdodecane

1,4-ビス(4-ドデシルオキシフェニル)-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： C40H58O2
Molecular formula furigana： C40-H58-O2
Molecular weight： 570.902
InChI： InChI=1S/C40H58O2/c1-3-5-7-9-11-13-15-17-19-23-35-41-39-31-27-37(28-32-39)25-21-22-26-38-29-33-40(34-30-38)42-36-24-20-18-16-14-12-10-8-6-4-2/h27-34H,3-20,23-24,35-36H2,1-2H3
InChI key： ITIYQLIRPCORAQ-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(OCCCCCCCCCCCC)cc1
Systematic name  (4)：
  • 1,4-ビス(4-ドデシルオキシフェニル)-1,3-ブタジイン
  • 1,1′-[1,3-ブタジイン-1,4-ジイルビス(4,1-フェニレン)ビスオキシ]ビスドデカン
  • 1-(ドデシルオキシ)-4-{4-[4-(ドデシルオキシ)フェニル]ブタ-1,3-ジイン-1-イル}ベンゼン
  • 1-(dodecyloxy)-4-{4-[4-(dodecyloxy)phenyl]buta-1,3-diyn-1-yl}benzene
Other name (1)：
  • 1,1′-[1,3-Butadiyne-1,4-diylbis(4,1-phenylene)bisoxy]bisdodecane
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