Chem
J-GLOBAL ID：200907081809512290   Nikkaji number：J253.166F

[2,3-Dichloro-4-[2-(methylthio)butyryl]phenoxy]acetic acid

[2,3-ジクロロ-4-[2-(メチルチオ)ブチリル]フェノキシ]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： C13H14Cl2O4S
Molecular formula furigana： C13-H14-CL2-O4-S
Molecular weight： 337.210
InChI： InChI=1S/C13H14Cl2O4S/c1-3-9(20-2)13(18)7-4-5-8(12(15)11(7)14)19-6-10(16)17/h4-5,9H,3,6H2,1-2H3,(H,16,17)
InChI key： NEVMXGDLGIPGER-UHFFFAOYSA-N
SMILES： CCC(SC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
Systematic name  (3)：
  • [2,3-ジクロロ-4-[2-(メチルチオ)ブチリル]フェノキシ]酢酸
  • 2-{2,3-ジクロロ-4-[2-(メチルスルファニル)ブタノイル]フェノキシ}酢酸
  • 2-{2,3-dichloro-4-[2-(methylsulfanyl)butanoyl]phenoxy}acetic acid
Other name (1)：
  • [2,3-Dichloro-4-[2-(methylthio)butyryl]phenoxy]acetic acid
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