Chem
J-GLOBAL ID：200907014025123418   Nikkaji number：J31.509E

4-Heptylbenzoic acid 4-cyanophenyl

4-ヘプチル安息香酸4-シアノフェニル
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： C21H23NO2
Molecular formula furigana： C21-H23-N-O2
Molecular weight： 321.420
InChI： InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3
InChI key： ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
SMILES： CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Systematic name  (8)：
  • 4-シアノフェニル4-ヘプチルベンゾアート
  • 4-ヘプチル安息香酸4-シアノフェニル
  • 4-シアノフェニル=4-ヘプチルベンゾアート
  • p-ヘプチル安息香酸p-シアノフェニル
  • 4-(4-ヘプチルベンゾイルオキシ)ベンゾニトリル
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Other name (8)：
  • 4-Cyanophenyl=4-heptylbenzoate
  • p-Heptylbenzoic acid p-cyanophenyl ester
  • 4-Heptylbenzoic acid 4-cyanophenyl ester
  • 7CPB
  • 4-Heptylbenzoic acid 4-cyanophenyl
Show all
CAS registry number： 38690-76-5
Regulation number (3)：
  • 4-(7)-1043
  • EINECS2540840
  • TSCA(38690-76-5)
Thsaurus map：
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