Chem
J-GLOBAL ID：200907041401508315   Nikkaji number：J2.166.435I

2-(3-Hydroxy-6-oxo-6H-xanthene-9-yl)-5-(thioxomethylamino)benzoic acid

2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)-5-メタンチオアミド安息香酸
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： C21H13NO5S
Molecular formula furigana： C21-H13-N-O5-S
Molecular weight： 391.400
InChI： InChI=1S/C21H13NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)14-4-1-11(22-10-28)7-17(14)21(25)26/h1-10,23H,(H,22,28)(H,25,26)
InChI key： KDFRZGWCOSXMPY-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(NC=S)ccc1c1c2ccc(O)cc2oc2cc(=O)ccc12
Systematic name  (3)：
  • 2-(3-ヒドロキシ-6-オキソ-6H-キサンテン-9-イル)-5-(チオキソメチルアミノ)安息香酸
  • 2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)-5-メタンチオアミド安息香酸
  • 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-methanethioamidobenzoic acid
Other name (1)：
  • 2-(3-Hydroxy-6-oxo-6H-xanthene-9-yl)-5-(thioxomethylamino)benzoic acid
Thsaurus map：
Thesaurus Map

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