Chem
J-GLOBAL ID：200907096400854081   Nikkaji number：J2.019.186D

1,4-Bis[4′-(decyloxy)-4-biphenylyl]-1,3-butadiyne

1,4-ビス[4′-(デシルオキシ)-4-ビフェニリル]-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： C48H58O2
Molecular formula furigana： C48-H58-O2
Molecular weight： 666.990
InChI： InChI=1S/C48H58O2/c1-3-5-7-9-11-13-15-19-39-49-47-35-31-45(32-36-47)43-27-23-41(24-28-43)21-17-18-22-42-25-29-44(30-26-42)46-33-37-48(38-34-46)50-40-20-16-14-12-10-8-6-4-2/h23-38H,3-16,19-20,39-40H2,1-2H3
InChI key： VCFBXKRRLYFKKA-UHFFFAOYSA-N
SMILES： CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#CC#Cc1ccc(cc1)c1ccc(OCCCCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[4′-(デシルオキシ)-4-ビフェニリル]-1,3-ブタジイン
  • 4-(デシルオキシ)-4'-{4-[4'-(デシルオキシ)-[1,1'-ビフェニル]-4-イル]ブタ-1,3-ジイン-1-イル}-1,1'-ビフェニル
  • 4-(decyloxy)-4'-{4-[4'-(decyloxy)-[1,1'-biphenyl]-4-yl]buta-1,3-diyn-1-yl}-1,1'-biphenyl
Other name (1)：
  • 1,4-Bis[4′-(decyloxy)-4-biphenylyl]-1,3-butadiyne
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