Chem
J-GLOBAL ID：200907090520155383   Nikkaji number：J1.468.337B

4-Methylbenzenesulfonic acid 1,1,3,3-tetramethyl-2-oxobutyl ester

4-メチルベンゼンスルホン酸1,1,3,3-テトラメチル-2-オキソブチル
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： C15H22O4S
Molecular formula furigana： C15-H22-O4-S
Molecular weight： 298.400
InChI： InChI=1S/C15H22O4S/c1-11-7-9-12(10-8-11)20(17,18)19-15(5,6)13(16)14(2,3)4/h7-10H,1-6H3
InChI key： JSDBIHGUVHXPCA-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)OC(C)(C)C(=O)C(C)(C)C
Systematic name  (3)：
  • 4-メチルベンゼンスルホン酸1,1,3,3-テトラメチル-2-オキソブチル
  • 2,2,4-トリメチル-4-[(4-メチルベンゼンスルホニル)オキシ]ペンタン-3-オン
  • 2,2,4-trimethyl-4-[(4-methylbenzenesulfonyl)oxy]pentan-3-one
Other name (1)：
  • 4-Methylbenzenesulfonic acid 1,1,3,3-tetramethyl-2-oxobutyl ester
Thsaurus map：
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