Chem
J-GLOBAL ID：200907032579233310   Nikkaji number：J2.465.189D

2-(Carboxymethyl)-3-oxo-7-carboxy-4,5-[1,3]butadieno-1-thiaisoindoline 1,1-dioxide

2-(カルボキシメチル)-3-オキソ-7-カルボキシ-4,5-[1,3]ブタジエノ-1-チアイソインドリン1,1-ジオキシド
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： C14H9NO5[O-]2[S+2]
Molecular formula furigana： C14-H9-N-O7-S
Molecular weight： 335.290
InChI： InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20)
InChI key： ZTJGXDGAXGWOGR-UHFFFAOYSA-N
SMILES： OC(=O)CN1C(=O)c2c(c(cc3ccccc23)C(=O)O)[S+2]1([O-])[O-]
Systematic name  (4)：
  • 1-オキソ-2-(カルボキシメチル)-4-カルボキシ-2-アザ-3-チア-2,3-ジヒドロ-1H-シクロペンタ[a]ナフタレン3,3-ジオキシド
  • 2-(カルボキシメチル)-3-オキソ-7-カルボキシ-4,5-[1,3]ブタジエノ-1-チアイソインドリン1,1-ジオキシド
  • 4-カルボキシ-2-(カルボキシメチル)-1-オキソ-1H,2H,3H-ナフト[1,2-d][1,2]チアゾール-3,3-ジイウム-3,3-ビス(オラート)
  • 4-carboxy-2-(carboxymethyl)-1-oxo-1H,2H,3H-naphtho[1,2-d][1,2]thiazole-3,3-diium-3,3-bis(olate)
Other name (2)：
  • 1-Oxo-2-(carboxymethyl)-4-carboxy-2-aza-3-thia-2,3-dihydro-1H-cyclopenta[a]naphthalene 3,3-dioxide
  • 2-(Carboxymethyl)-3-oxo-7-carboxy-4,5-[1,3]butadieno-1-thiaisoindoline 1,1-dioxide
Thsaurus map：
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