Chem
J-GLOBAL ID：200907069464234632   Nikkaji number：J31.508G

4-Hexylbenzoic acid 4-cyanophenyl

4-ヘキシル安息香酸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： C20H21NO2
Molecular formula furigana： C20-H21-N-O2
Molecular weight： 307.393
InChI： InChI=1S/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3
InChI key： DEUWEGPRKHPNKB-UHFFFAOYSA-N
SMILES： CCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Systematic name  (4)：
  • 4-ヘキシル安息香酸4-シアノフェニル
  • p-ヘキシル安息香酸p-シアノフェニル
  • 4-シアノフェニル 4-ヘキシルベンゾアート
  • 4-cyanophenyl 4-hexylbenzoate
Other name (3)：
  • p-Hexylbenzoic acid p-cyanophenyl ester
  • 6CPB
  • 4-Hexylbenzoic acid 4-cyanophenyl
CAS registry number： 50793-85-6
Regulation number (2)：
  • 4-(7)-1039
  • TSCA(50793-85-6)
Thsaurus map：
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