Chem
J-GLOBAL ID：200907032200873962   Nikkaji number：J1.521.536D

4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)benzoic acid methyl ester

4-(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)安息香酸メチル
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： C16H11F13O2
Molecular formula furigana： C16-H11-F13-O2
Molecular weight： 482.241
InChI： InChI=1S/C16H11F13O2/c1-31-10(30)9-4-2-8(3-5-9)6-7-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-5H,6-7H2,1H3
InChI key： XLJKJFORHNYZMS-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
Systematic name  (3)：
  • 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)安息香酸メチル
  • メチル 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)ベンゾアート
  • methyl 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzoate
Other name (1)：
  • 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)benzoic acid methyl ester
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