Chem
J-GLOBAL ID：200907046579434112   Nikkaji number：J279.593K

5-Fluoro-2-methyl-1-[(E)-[4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetic acid

5-フルオロ-2-メチル-1-[(E)-[4-(メチルスルフィニル)フェニル]メチレン]-1H-インデン-3-酢酸
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： C20H17FO3S
Molecular formula furigana： C20-H17-F-O3-S
Molecular weight： 356.410
InChI： InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChI key： MLKXDPUZXIRXEP-RQZCQDPDSA-N
SMILES： CC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C/c1ccc(cc1)S(=O)C
Systematic name  (3)：
  • 5-フルオロ-2-メチル-1-[(E)-[4-(メチルスルフィニル)フェニル]メチレン]-1H-インデン-3-酢酸
  • 2-[(1E)-5-フルオロ-1-[(4-メタンスルフィニルフェニル)メチリデン]-2-メチル-1H-インデン-3-イル]酢酸
  • 2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid
Other name (1)：
  • 5-Fluoro-2-methyl-1-[(E)-[4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetic acid
CAS registry number： 53933-60-1
Regulation number (1)：
  • EINECS2588730
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