Chem
J-GLOBAL ID：201807009335131018   Nikkaji number：J3.687.694H

4-((E)-1-Trifluoromethylsulfonyloxy-2-propyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octenyl)benzoic acid ethyl ester

4-((E)-1-トリフルオロメチルスルホニルオキシ-2-プロピル-3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロ-1-オクテニル)安息香酸エチル
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： C21H16F16O5S
Molecular formula furigana： C21-H16-F16-O5-S
Molecular weight： 684.390
InChI： InChI=1S/C21H16F16O5S/c1-3-5-12(15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)34)13(42-43(39,40)21(35,36)37)10-6-8-11(9-7-10)14(38)41-4-2/h6-9H,3-5H2,1-2H3/b13-12+
InChI key： LZWVTVOZXDMNOY-OUKQBFOZSA-N
SMILES： CCC/C(=C(\OS(=O)(=O)C(F)(F)F)/c1ccc(cc1)C(=O)OCC)/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Systematic name  (3)：
  • 4-((E)-1-トリフルオロメチルスルホニルオキシ-2-プロピル-3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロ-1-オクテニル)安息香酸エチル
  • エチル 4-[(1E)-3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロ-2-プロピル-1-(トリフルオロメタンスルホニルオキシ)オクタ-1-エン-1-イル]ベンゾアート
  • ethyl 4-[(1E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-propyl-1-(trifluoromethanesulfonyloxy)oct-1-en-1-yl]benzoate
Other name (1)：
  • 4-((E)-1-Trifluoromethylsulfonyloxy-2-propyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octenyl)benzoic acid ethyl ester
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