Chem
J-GLOBAL ID：201807019702341860   Nikkaji number：J3.687.698K

4,4′-((E)-1-Oxo-1-methoxy-4,4,5,5,6,6,7,7,7-nonafluoro-2-heptene-2,3-diyl)bis(benzoic acid ethyl) ester

4,4′-((E)-1-オキソ-1-メトキシ-4,4,5,5,6,6,7,7,7-ノナフルオロ-2-ヘプテン-2,3-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： C26H21F9O6
Molecular formula furigana： C26-H21-F9-O6
Molecular weight： 600.434
InChI： InChI=1S/C26H21F9O6/c1-4-40-20(36)16-10-6-14(7-11-16)18(22(38)39-3)19(15-8-12-17(13-9-15)21(37)41-5-2)23(27,28)24(29,30)25(31,32)26(33,34)35/h6-13H,4-5H2,1-3H3/b19-18+
InChI key： WSHXIGHWCIZZLR-VHEBQXMUSA-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(=O)OC
Systematic name  (3)：
  • 4,4′-((E)-1-オキソ-1-メトキシ-4,4,5,5,6,6,7,7,7-ノナフルオロ-2-ヘプテン-2,3-ジイル)ビス(安息香酸エチル)
  • エチル 4-[(2E)-3-[4-(エトキシカルボニル)フェニル]-4,4,5,5,6,6,7,7,7-ノナフルオロ-1-メトキシ-1-オキソヘプタ-2-エン-2-イル]ベンゾアート
  • ethyl 4-[(2E)-3-[4-(ethoxycarbonyl)phenyl]-4,4,5,5,6,6,7,7,7-nonafluoro-1-methoxy-1-oxohept-2-en-2-yl]benzoate
Other name (1)：
  • 4,4′-((E)-1-Oxo-1-methoxy-4,4,5,5,6,6,7,7,7-nonafluoro-2-heptene-2,3-diyl)bis(benzoic acid ethyl) ester
Thsaurus map：
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