Chem
J-GLOBAL ID：200907039812884755   Nikkaji number：J2.769.337G

Octa-2,4,6-triyne-1,8-diol 1-benzoate 8-(2,3,4,5,6-pentafluorobenzoate)

8-(2,3,4,5,6-ペンタフルオロベンゾイルオキシ)オクタ-2,4,6-トリイン-1-イル ベンゾアート
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： C22H9F5O4
Molecular formula furigana： C22-H9-F5-O4
Molecular weight： 432.302
InChI： InChI=1S/C22H9F5O4/c23-16-15(17(24)19(26)20(27)18(16)25)22(29)31-13-9-4-2-1-3-8-12-30-21(28)14-10-6-5-7-11-14/h5-7,10-11H,12-13H2
InChI key： FMTPWLRUJPBYRP-UHFFFAOYSA-N
SMILES： Fc1c(F)c(F)c(C(=O)OCC#CC#CC#CCOC(=O)c2ccccc2)c(F)c1F
Systematic name  (3)：
  • オクタ-2,4,6-トリイン-1,8-ジオール1-ベンゾアート8-(2,3,4,5,6-ペンタフルオロベンゾアート)
  • 8-(2,3,4,5,6-ペンタフルオロベンゾイルオキシ)オクタ-2,4,6-トリイン-1-イル ベンゾアート
  • 8-(2,3,4,5,6-pentafluorobenzoyloxy)octa-2,4,6-triyn-1-yl benzoate
Other name (1)：
  • Octa-2,4,6-triyne-1,8-diol 1-benzoate 8-(2,3,4,5,6-pentafluorobenzoate)
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