Chem
J-GLOBAL ID：200907080385511977   Nikkaji number：J2.465.190H

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

2-(カルボキシメチル)-3-オキソ-7-(カルボキシメトキシカルボニル)-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： C16H11NO7[O-]2[S+2]
Molecular formula furigana： C16-H11-N-O9-S
Molecular weight： 393.320
InChI： InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21)
InChI key： IXLBOIRSEDMRPI-UHFFFAOYSA-N
SMILES： OC(=O)COC(=O)c1cc2ccccc2c2C(=O)N(CC(=O)O)[S+2]([O-])([O-])c12
Systematic name  (4)：
  • 1-オキソ-2-(カルボキシメチル)-4-(カルボキシメトキシカルボニル)-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-(カルボキシメトキシカルボニル)-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-[(カルボキシメトキシ)カルボニル]-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-[(carboxymethoxy)carbonyl]-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-(carboxymethoxycarbonyl)-2-aza-3-thia-2,3-dihydro-1H-cyclopenta[a]naphthalene 3,3-dioxide
  • 2-(Carboxymethyl)-3-oxo-7-(carboxymethoxycarbonyl)-4,5-[1,3]butadieno-1-thiaisoindoline 1,1-dioxide
Thsaurus map：
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