Chem
J-GLOBAL ID：200907088590448391   Nikkaji number：J1.529.386A

3,3′-Trimethylenebis[2-methyl-5-tert-butylbenzeneacetonitrile]

3,3′-トリメチレンビス[2-メチル-5-tert-ブチルベンゼンアセトニトリル]
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： C29H38N2
Molecular formula furigana： C29-H38-N2
Molecular weight： 414.637
InChI： InChI=1S/C29H38N2/c1-20-22(16-26(28(3,4)5)18-24(20)12-14-30)10-9-11-23-17-27(29(6,7)8)19-25(13-15-31)21(23)2/h16-19H,9-13H2,1-8H3
InChI key： KNZACNJLYFPJKJ-UHFFFAOYSA-N
SMILES： Cc1c(CCCc2cc(cc(CC#N)c2C)C(C)(C)C)cc(cc1CC#N)C(C)(C)C
Systematic name  (3)：
  • 3,3′-トリメチレンビス[2-メチル-5-tert-ブチルベンゼンアセトニトリル]
  • 2-(5-tert-ブチル-3-{3-[5-tert-ブチル-3-(シアノメチル)-2-メチルフェニル]プロピル}-2-メチルフェニル)アセトニトリル
  • 2-(5-tert-butyl-3-{3-[5-tert-butyl-3-(cyanomethyl)-2-methylphenyl]propyl}-2-methylphenyl)acetonitrile
Other name (1)：
  • 3,3′-Trimethylenebis[2-methyl-5-tert-butylbenzeneacetonitrile]
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