Chem
J-GLOBAL ID：201007088880748446   Nikkaji number：J2.821.159G

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

1,4-ビス[4′-(ノニルオキシ)-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： C46H54O2
Molecular formula furigana： C46-H54-O2
Molecular weight： 638.936
InChI： InChI=1S/C46H54O2/c1-3-5-7-9-11-13-17-37-47-45-33-29-43(30-34-45)41-25-21-39(22-26-41)19-15-16-20-40-23-27-42(28-24-40)44-31-35-46(36-32-44)48-38-18-14-12-10-8-6-4-2/h21-36H,3-14,17-18,37-38H2,1-2H3
InChI key： DNYDMMRNOULLKT-UHFFFAOYSA-N
SMILES： CCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#CC#Cc1ccc(cc1)c1ccc(OCCCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[4′-(ノニルオキシ)-4-ビフェニリル]-1,3-ブタジイン
  • 4-(ノニルオキシ)-4'-{4-[4'-(ノニルオキシ)-[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-(nonyloxy)-4'-{4-[4'-(nonyloxy)-[1,1'-biphenyl]-4-yl]buta-1,3-diyn-1-yl}-1,1'-biphenyl
Other name (1)：
  • 1,4-Bis[4′-(nonyloxy)-4-biphenylyl]-1,3-butadiyne
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