Chem
J-GLOBAL ID：201807019319705247   Nikkaji number：J3.687.697B

4,4′-((E)-8,8,9,9,10,10,10-Heptafluoro-6-decene-4-yne-6,7-diyl)bis(benzoic acid ethyl) ester

4,4′-((E)-8,8,9,9,10,10,10-ヘプタフルオロ-6-デセン-4-イン-6,7-ジイル)ビス(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： C28H25F7O4
Molecular formula furigana： C28-H25-F7-O4
Molecular weight： 558.493
InChI： InChI=1S/C28H25F7O4/c1-4-7-8-9-22(18-10-14-20(15-11-18)24(36)38-5-2)23(26(29,30)27(31,32)28(33,34)35)19-12-16-21(17-13-19)25(37)39-6-3/h10-17H,4-7H2,1-3H3/b23-22-
InChI key： GAGXLGXUINWEDH-FCQUAONHSA-N
SMILES： CCCC#C/C(=C(\c1ccc(cc1)C(=O)OCC)/C(F)(F)C(F)(F)C(F)(F)F)/c1ccc(cc1)C(=O)OCC
Systematic name  (3)：
  • 4,4′-((E)-8,8,9,9,10,10,10-ヘプタフルオロ-6-デセン-4-イン-6,7-ジイル)ビス(安息香酸エチル)
  • エチル 4-[(4E)-5-[4-(エトキシカルボニル)フェニル]-1,1,1,2,2,3,3-ヘプタフルオロデカ-4-エン-6-イン-4-イル]ベンゾアート
  • ethyl 4-[(4E)-5-[4-(ethoxycarbonyl)phenyl]-1,1,1,2,2,3,3-heptafluorodec-4-en-6-yn-4-yl]benzoate
Other name (1)：
  • 4,4′-((E)-8,8,9,9,10,10,10-Heptafluoro-6-decene-4-yne-6,7-diyl)bis(benzoic acid ethyl) ester
Thsaurus map：
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