Chem
J-GLOBAL ID：200907036641412460   Nikkaji number：J433.795F

4-(p-Tolylsulfonyl)-2-methylbutanoic acid methyl ester

4-(p-トリルスルホニル)-2-メチルブタン酸メチル
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： C13H18O4S
Molecular formula furigana： C13-H18-O4-S
Molecular weight： 270.340
InChI： InChI=1S/C13H18O4S/c1-10-4-6-12(7-5-10)18(15,16)9-8-11(2)13(14)17-3/h4-7,11H,8-9H2,1-3H3
InChI key： NFKSQGRWZMBEMI-UHFFFAOYSA-N
SMILES： COC(=O)C(C)CCS(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 4-(p-トリルスルホニル)-2-メチルブタン酸メチル
  • メチル 2-メチル-4-(4-メチルベンゼンスルホニル)ブタノアート
  • methyl 2-methyl-4-(4-methylbenzenesulfonyl)butanoate
Other name (1)：
  • 4-(p-Tolylsulfonyl)-2-methylbutanoic acid methyl ester
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