Chem
J-GLOBAL ID：200907023847192577   Nikkaji number：J1.756.776D

CFSE

CFSE
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： C25H13NO7[O-]2
Molecular formula furigana： C25-H13-N-O9
Molecular weight： 471.378
InChI： InChI=1S/C25H15NO9/c27-13-2-5-16-19(10-13)34-20-11-14(28)3-6-17(20)23(16)15-4-1-12(9-18(15)24(31)32)25(33)35-26-21(29)7-8-22(26)30/h1-6,9-11,27H,7-8H2,(H,31,32)/p-2
InChI key： TWOKNYRPKCLMAR-UHFFFAOYSA-L
SMILES： [O-]C(=O)c1cc(ccc1c1c2ccc([O-])cc2oc2cc(=O)ccc12)C(=O)ON1C(=O)CCC1=O
Systematic name  (3)：
  • 2-(3-オキシラト-6-オキソ-6H-キサンテン-9-イル)-5-[[(2,5-ジオキソピロリジノ)オキシ]カルボニル]安息香酸アニオン
  • 5-{[(2,5-ジオキソピロリジン-1-イル)オキシ]カルボニル}-2-(6-オキシド-3-オキソ-3H-キサンテン-9-イル)ベンゾアート
  • 5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}-2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Other name (2)：
  • 2-(3-Oxylato-6-oxo-6H-xanthene-9-yl)-5-[[(2,5-dioxopyrrolizino)oxy]carbonyl]benzoic acidanion
  • CFSE
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