Chem
J-GLOBAL ID：201007071514896815   Nikkaji number：J2.821.156B

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

1,4-ビス[4′-(ヘプチルオキシ)-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： C42H46O2
Molecular formula furigana： C42-H46-O2
Molecular weight： 582.828
InChI： InChI=1S/C42H46O2/c1-3-5-7-9-13-33-43-41-29-25-39(26-30-41)37-21-17-35(18-22-37)15-11-12-16-36-19-23-38(24-20-36)40-27-31-42(32-28-40)44-34-14-10-8-6-4-2/h17-32H,3-10,13-14,33-34H2,1-2H3
InChI key： IKTCHPWHWVMMQB-UHFFFAOYSA-N
SMILES： CCCCCCCOc1ccc(cc1)c1ccc(cc1)C#CC#Cc1ccc(cc1)c1ccc(OCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[4′-(ヘプチルオキシ)-4-ビフェニリル]-1,3-ブタジイン
  • 4-(ヘプチルオキシ)-4'-{4-[4'-(ヘプチルオキシ)-[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-(heptyloxy)-4'-{4-[4'-(heptyloxy)-[1,1'-biphenyl]-4-yl]buta-1,3-diyn-1-yl}-1,1'-biphenyl
Other name (1)：
  • 1,4-Bis[4′-(heptyloxy)-4-biphenylyl]-1,3-butadiyne
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