Chem
J-GLOBAL ID:200907015585978849   Nikkaji number:J749.956F

3-Oxo-6-hydroxy-9-(2,5-dicarboxyphenyl)-3H-xanthene-2,7-dipropionic acid

3-オキソ-6-ヒドロキシ-9-(2,5-ジカルボキシフェニル)-3H-キサンテン-2,7-ジプロピオン酸
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: C27H20O11
Molecular formula furigana: C27-H20-O11
Molecular weight: 520.446
InChI: InChI=1S/C27H20O11/c28-19-10-21-17(7-12(19)2-5-23(30)31)25(16-9-14(26(34)35)1-4-15(16)27(36)37)18-8-13(3-6-24(32)33)20(29)11-22(18)38-21/h1,4,7-11,28H,2-3,5-6H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
InChI key: DKROGDOAOXDINY-UHFFFAOYSA-N
SMILES: OC(=O)CCc1cc2c(c3cc(ccc3C(=O)O)C(=O)O)c3cc(CCC(=O)O)c(=O)cc3oc2cc1O
Systematic name  (4):
  • 3-オキソ-6-ヒドロキシ-9-(2,5-ジカルボキシフェニル)-3H-キサンテン-2,7-ビスプロピオン酸
  • 3-オキソ-6-ヒドロキシ-9-(2,5-ジカルボキシフェニル)-3H-キサンテン-2,7-ジプロピオン酸
  • 2-[2,7-ビス(2-カルボキシエチル)-6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル]ベンゼン-1,4-ジカルボン酸
  • 2-[2,7-bis(2-carboxyethyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzene-1,4-dicarboxylic acid
Other name (2):
  • 3-Oxo-6-hydroxy-9-(2,5-dicarboxyphenyl)-3H-xanthene-2,7-bispropionic acid
  • 3-Oxo-6-hydroxy-9-(2,5-dicarboxyphenyl)-3H-xanthene-2,7-dipropionic acid
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