Chem
J-GLOBAL ID:201807015159511020   Nikkaji number:J3.687.695F

4-((E)-1-(4-Methoxyphenyl)-2-propyl-3,3,4,4,5,5,5-heptafluoro-1-pentene-1-yl)benzonitrile

4-((E)-1-(4-メトキシフェニル)-2-プロピル-3,3,4,4,5,5,5-ヘプタフルオロ-1-ペンテン-1-イル)ベンゾニトリル
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: C22H18F7NO
Molecular formula furigana: C22-H18-F7-N-O
Molecular weight: 445.381
InChI: InChI=1S/C22H18F7NO/c1-3-4-18(20(23,24)21(25,26)22(27,28)29)19(15-7-5-14(13-30)6-8-15)16-9-11-17(31-2)12-10-16/h5-12H,3-4H2,1-2H3/b19-18+
InChI key: XOVQSXGLKATXCE-VHEBQXMUSA-N
SMILES: CCC/C(=C(\c1ccc(OC)cc1)/c1ccc(cc1)C#N)/C(F)(F)C(F)(F)C(F)(F)F
Systematic name  (3):
  • 4-((E)-1-(4-メトキシフェニル)-2-プロピル-3,3,4,4,5,5,5-ヘプタフルオロ-1-ペンテン-1-イル)ベンゾニトリル
  • 4-[(1E)-3,3,4,4,5,5,5-ヘプタフルオロ-1-(4-メトキシフェニル)-2-プロピルペンタ-1-エン-1-イル]ベンゾニトリル
  • 4-[(1E)-3,3,4,4,5,5,5-heptafluoro-1-(4-methoxyphenyl)-2-propylpent-1-en-1-yl]benzonitrile
Other name (1):
  • 4-((E)-1-(4-Methoxyphenyl)-2-propyl-3,3,4,4,5,5,5-heptafluoro-1-pentene-1-yl)benzonitrile
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