Chem
J-GLOBAL ID：200907026564332517   Nikkaji number：J2.146.229B

5-(2-Carboxybenzoyloxymethyl)heptanoic acid

フタル酸1-(2-エチル-5-カルボキシペンチル)
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： C16H20O6
Molecular formula furigana： C16-H20-O6
Molecular weight： 308.330
InChI： InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
InChI key： XFGRNAPKLGXDGF-UHFFFAOYSA-N
SMILES： CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O
Systematic name  (5)：
  • フタル酸1-(6-ヒドロキシ-6-オキソ-2-エチルヘキシル)
  • フタル酸1-(2-エチル-5-カルボキシペンチル)
  • 5-(2-カルボキシベンゾイルオキシメチル)ヘプタン酸
  • 2-{[(5-カルボキシ-2-エチルペンチル)オキシ]カルボニル}安息香酸
  • 2-{[(5-carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid
Other name (3)：
  • Phthalic acid 1-(6-hydroxy-6-oxo-2-ethylhexyl) ester
  • Phthalic acid 1-(2-ethyl-5-carboxypentyl) ester
  • 5-(2-Carboxybenzoyloxymethyl)heptanoic acid
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