Chem
J-GLOBAL ID：200907049407595580   Nikkaji number：J82.431C

4-Oxalmesaconic acid

4-オキサルメサコン酸
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： C7H6O7
Molecular formula furigana： C7-H6-O7
Molecular weight： 202.118
InChI： InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+
InChI key： ODTDYYZJDQGKQT-NSCUHMNNSA-N
SMILES： OC(=O)/C=C(\CC(=O)C(=O)O)/C(=O)O
Systematic name  (3)：
  • (E)-4-オキソ-1-ブテン-1,2,4-トリカルボン酸
  • (1E)-4-オキソブタ-1-エン-1,2,4-トリカルボン酸
  • (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
Other name (3)：
  • 4-オキサルメサコン酸
  • 4-Oxalmesaconic acid
  • (E)-4-Oxo-1-butene-1,2,4-tricarboxylic acid
CAS registry number： 85179-60-8
KEGG COMPOUND： C04434
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