Chem
J-GLOBAL ID：200907098310823317   Nikkaji number：J2.496.070F

5-Methylisophthalate

5-メチルイソフタラート
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： C9H6O2[O-]2
Molecular formula furigana： C9-H6-O4
Molecular weight： 178.144
InChI： InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)/p-2
InChI key： PMZBHPUNQNKBOA-UHFFFAOYSA-L
SMILES： Cc1cc(cc(c1)C(=O)[O-])C(=O)[O-]
Systematic name  (4)：
  • 5-メチルイソフタル酸ジアニオン
  • 5-メチルイソフタラート
  • 5-メチルベンゼン-1,3-ジカルボキシラート
  • 5-methylbenzene-1,3-dicarboxylate
Other name (2)：
  • 5-Methylisophthalic acid dianion
  • 5-Methylisophthalate
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