Chem
J-GLOBAL ID：200907099223273480   Nikkaji number：J2.544.169I

[3-Carboxy-4-(6-hydroxy-3-oxo-3H-xanthene-9-yl)phenyl]thiocarbamic acid

[3-カルボキシ-4-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)フェニル]チオカルバミド酸
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： C21H13NO6S
Molecular formula furigana： C21-H13-N-O6-S
Molecular weight： 407.400
InChI： InChI=1S/C21H13NO6S/c23-11-2-5-14-17(8-11)28-18-9-12(24)3-6-15(18)19(14)13-4-1-10(22-21(27)29)7-16(13)20(25)26/h1-9,23H,(H,25,26)(H2,22,27,29)
InChI key： YMGUTVDFHHFZIJ-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(NC(=O)S)ccc1c1c2ccc(O)cc2oc2cc(=O)ccc12
Systematic name  (3)：
  • [3-カルボキシ-4-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)フェニル]チオカルバミド酸
  • 2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)-5-[(スルファニルカルボニル)アミノ]安息香酸
  • 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
Other name (1)：
  • [3-Carboxy-4-(6-hydroxy-3-oxo-3H-xanthene-9-yl)phenyl]thiocarbamic acid
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