Chem
J-GLOBAL ID：200907000810274484
Nikkaji number：J637.673H
4-[4-[4-(Octyloxy)phenyl]-1,3-butadiynyl]benzonitrile
4-[4-[4-(オクチルオキシ)フェニル]-1,3-ブタジイニル]ベンゾニトリル
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
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
Molecular formula： C25H25NO
Molecular formula furigana： C25-H25-N-O
Molecular weight： 355.481
InChI：
InChI=1S/C25H25NO/c1-2-3-4-5-6-9-20-27-25-18-16-23(17-19-25)11-8-7-10-22-12-14-24(21-26)15-13-22/h12-19H,2-6,9,20H2,1H3
InChI key：
FKQPXEQBSKMIFH-UHFFFAOYSA-N
SMILES：
CCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(cc1)C#N
Systematic name (3)：
- 4-[4-[4-(オクチルオキシ)フェニル]-1,3-ブタジイニル]ベンゾニトリル
- 4-{4-[4-(オクチルオキシ)フェニル]ブタ-1,3-ジイン-1-イル}ベンゾニトリル
- 4-{4-[4-(octyloxy)phenyl]buta-1,3-diyn-1-yl}benzonitrile
- 4-[4-[4-(Octyloxy)phenyl]-1,3-butadiynyl]benzonitrile
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