Chem
J-GLOBAL ID：201807005034504611   Nikkaji number：J3.687.696D

4,4′-((1E,3Z)-1-Phenyl-5,5,6,6,7,7,8,8,8-nonafluoro-1,3-octadiene-3,4-diyl)bis(benzoic acid ethyl) ester

4,4′-((1E,3Z)-1-フェニル-5,5,6,6,7,7,8,8,8-ノナフルオロ-1,3-オクタジエン-3,4-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： C32H25F9O4
Molecular formula furigana： C32-H25-F9-O4
Molecular weight： 644.534
InChI： InChI=1S/C32H25F9O4/c1-3-44-27(42)23-15-11-21(12-16-23)25(19-10-20-8-6-5-7-9-20)26(22-13-17-24(18-14-22)28(43)45-4-2)29(33,34)30(35,36)31(37,38)32(39,40)41/h5-19H,3-4H2,1-2H3/b19-10+,26-25-
InChI key： NAEGPAYDLLXPDE-YHFLOSKFSA-N
SMILES： CCOC(=O)c1ccc(cc1)/C(=C(/c1ccc(cc1)C(=O)OCC)\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/C=C/c1ccccc1
Systematic name  (3)：
  • 4,4′-((1E,3Z)-1-フェニル-5,5,6,6,7,7,8,8,8-ノナフルオロ-1,3-オクタジエン-3,4-ジイル)ビス(安息香酸エチル)
  • エチル 4-[(1E,3Z)-4-[4-(エトキシカルボニル)フェニル]-5,5,6,6,7,7,8,8,8-ノナフルオロ-1-フェニルオクタ-1,3-ジエン-3-イル]ベンゾアート
  • ethyl 4-[(1E,3Z)-4-[4-(ethoxycarbonyl)phenyl]-5,5,6,6,7,7,8,8,8-nonafluoro-1-phenylocta-1,3-dien-3-yl]benzoate
Other name (1)：
  • 4,4′-((1E,3Z)-1-Phenyl-5,5,6,6,7,7,8,8,8-nonafluoro-1,3-octadiene-3,4-diyl)bis(benzoic acid ethyl) ester
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