Chem
J-GLOBAL ID：201407065993841697   Nikkaji number：J3.276.718D

4-(2,2-Difluoro-3-oxocycloheptane-1-ylidenemethyl)benzoic acid methyl ester

メチル 4-[(2,2-ジフルオロ-3-オキソシクロヘプチリデン)メチル]ベンゾアート
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： C16H16F2O3
Molecular formula furigana： C16-H16-F2-O3
Molecular weight： 294.298
InChI： InChI=1S/C16H16F2O3/c1-21-15(20)12-8-6-11(7-9-12)10-13-4-2-3-5-14(19)16(13,17)18/h6-10H,2-5H2,1H3
InChI key： GPNVCCSDDGPTBV-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(C=C2CCCCC(=O)C2(F)F)cc1
Systematic name  (3)：
  • 4-(2,2-ジフルオロ-3-オキソシクロヘプタン-1-イリデンメチル)安息香酸メチル
  • メチル 4-[(2,2-ジフルオロ-3-オキソシクロヘプチリデン)メチル]ベンゾアート
  • methyl 4-[(2,2-difluoro-3-oxocycloheptylidene)methyl]benzoate
Other name (1)：
  • 4-(2,2-Difluoro-3-oxocycloheptane-1-ylidenemethyl)benzoic acid methyl ester
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