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
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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:
C21 H13 NO5 S
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:
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