Chem
J-GLOBAL ID：201107045089361399   Nikkaji number：J2.929.260D

α,α′-Bis(4-butoxybenzylidene)-1,4-benzenediacetonitrile

α,α′-ビス(4-ブトキシベンジリデン)-1,4-ベンゼンジアセトニトリル
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： C32H32N2O2
Molecular formula furigana： C32-H32-N2-O2
Molecular weight： 476.620
InChI： InChI=1S/C32H32N2O2/c1-3-5-19-35-31-15-7-25(8-16-31)21-29(23-33)27-11-13-28(14-12-27)30(24-34)22-26-9-17-32(18-10-26)36-20-6-4-2/h7-18,21-22H,3-6,19-20H2,1-2H3
InChI key： PHWPJDAIHBKHLY-UHFFFAOYSA-N
SMILES： CCCCOc1ccc(C=C(C#N)c2ccc(cc2)C(=Cc2ccc(OCCCC)cc2)C#N)cc1
Systematic name  (4)：
  • 2,2′-(1,4-フェニレン)ビス[3-(4-ブトキシフェニル)アクリロニトリル]
  • α,α′-ビス(4-ブトキシベンジリデン)-1,4-ベンゼンジアセトニトリル
  • 3-(4-ブトキシフェニル)-2-{4-[2-(4-ブトキシフェニル)-1-シアノエタ-1-エン-1-イル]フェニル}プロパ-2-エンニトリル
  • 3-(4-butoxyphenyl)-2-{4-[2-(4-butoxyphenyl)-1-cyanoeth-1-en-1-yl]phenyl}prop-2-enenitrile
Other name (2)：
  • 2,2′-(1,4-Phenylene)bis[3-(4-butoxyphenyl)acrylonitrile]
  • α,α′-Bis(4-butoxybenzylidene)-1,4-benzenediacetonitrile
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