Chem
J-GLOBAL ID：201807006715165552   Nikkaji number：J3.687.691C

4-((E)-1-Trifluoromethylsulfonyloxy-2-methyl-3,3,4,4,5,5,5-heptafluoro-1-pentenyl)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-メチル-3,3,4,4,5,5,5-ヘプタフルオロ-1-ペンテニル)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： C16H12F10O5S
Molecular formula furigana： C16-H12-F10-O5-S
Molecular weight： 506.310
InChI： InChI=1S/C16H12F10O5S/c1-3-30-12(27)10-6-4-9(5-7-10)11(31-32(28,29)16(24,25)26)8(2)13(17,18)14(19,20)15(21,22)23/h4-7H,3H2,1-2H3/b11-8+
InChI key： QTWIEQLOBORVHA-DHZHZOJOSA-N
SMILES： CCOC(=O)c1ccc(cc1)/C(=C(/C)\C(F)(F)C(F)(F)C(F)(F)F)/OS(=O)(=O)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-メチル-3,3,4,4,5,5,5-ヘプタフルオロ-1-ペンテニル)安息香酸エチル
  • エチル 4-[(1E)-3,3,4,4,5,5,5-ヘプタフルオロ-2-メチル-1-(トリフルオロメタンスルホニルオキシ)ペンタ-1-エン-1-イル]ベンゾアート
  • ethyl 4-[(1E)-3,3,4,4,5,5,5-heptafluoro-2-methyl-1-(trifluoromethanesulfonyloxy)pent-1-en-1-yl]benzoate
Other name (1)：
  • 4-((E)-1-Trifluoromethylsulfonyloxy-2-methyl-3,3,4,4,5,5,5-heptafluoro-1-pentenyl)benzoic acid ethyl ester
Thsaurus map：
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