Chem
J-GLOBAL ID：201007038416795248   Nikkaji number：J2.821.157K

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

1,4-ビス[4′-(オクチルオキシ)-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： C44H50O2
Molecular formula furigana： C44-H50-O2
Molecular weight： 610.882
InChI： InChI=1S/C44H50O2/c1-3-5-7-9-11-15-35-45-43-31-27-41(28-32-43)39-23-19-37(20-24-39)17-13-14-18-38-21-25-40(26-22-38)42-29-33-44(34-30-42)46-36-16-12-10-8-6-4-2/h19-34H,3-12,15-16,35-36H2,1-2H3
InChI key： WCXQDPDZXAFYOV-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#CC#Cc1ccc(cc1)c1ccc(OCCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[4′-(オクチルオキシ)-4-ビフェニリル]-1,3-ブタジイン
  • 4-(オクチルオキシ)-4'-{4-[4'-(オクチルオキシ)-[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-(octyloxy)-4'-{4-[4'-(octyloxy)-[1,1'-biphenyl]-4-yl]buta-1,3-diyn-1-yl}-1,1'-biphenyl
Other name (1)：
  • 1,4-Bis[4′-(octyloxy)-4-biphenylyl]-1,3-butadiyne
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