Chem
J-GLOBAL ID：200907015817370451   Nikkaji number：J11.351D

Squamatic acid

スクアマト酸
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： C19H18O9
Molecular formula furigana： C19-H18-O9
Molecular weight： 390.344
InChI： InChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25)
InChI key： WCWYEXBIRSSVGF-UHFFFAOYSA-N
SMILES： COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C(=O)O
Systematic name  (3)：
  • 2-ヒドロキシ-4-メトキシ-6-メチル-1,3-ベンゼンジカルボン酸1-(4-カルボキシ-3-ヒドロキシ-2,5-ジメチルフェニル)
  • 3-[(4-カルボキシ-3-ヒドロキシ-2,5-ジメチルフェノキシ)カルボニル]-2-ヒドロキシ-6-メトキシ-4-メチル安息香酸
  • 3-[(4-carboxy-3-hydroxy-2,5-dimethylphenoxy)carbonyl]-2-hydroxy-6-methoxy-4-methylbenzoic acid
Other name (3)：
  • スクアマト酸
  • Squamatic acid
  • 2-Hydroxy-4-methoxy-6-methyl-1,3-benzenedicarboxylic acid 1-(4-carboxy-3-hydroxy-2,5-dimethylphenyl) ester
CAS registry number： 569-36-8
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