Chem
J-GLOBAL ID：200907028405160414   Nikkaji number：J2.769.338E

Octa-2,4,6-triyne-1,8-diol 1-(4-dodecyloxybenzoate)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 4-(ドデシルオキシ)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： C34H33F5O5
Molecular formula furigana： C34-H33-F5-O5
Molecular weight： 616.625
InChI： InChI=1S/C34H33F5O5/c1-2-3-4-5-6-7-8-9-12-15-22-42-26-20-18-25(19-21-26)33(40)43-23-16-13-10-11-14-17-24-44-34(41)27-28(35)30(37)32(39)31(38)29(27)36/h18-21H,2-9,12,15,22-24H2,1H3
InChI key： IMRFUPKPWGYXJF-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1ccc(cc1)C(=O)OCC#CC#CC#CCOC(=O)c1c(F)c(F)c(F)c(F)c1F
Systematic name  (3)：
  • オクタ-2,4,6-トリイン-1,8-ジオール1-(4-ドデシルオキシベンゾアート)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 4-(ドデシルオキシ)ベンゾアート
  • 8-(2,3,4,5,6-pentafluorobenzoyloxy)octa-2,4,6-triyn-1-yl 4-(dodecyloxy)benzoate
Other name (1)：
  • Octa-2,4,6-triyne-1,8-diol 1-(4-dodecyloxybenzoate)8-(2,3,4,5,6-pentafluorobenzoate)
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