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  3. HIT221058944
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HIT221058944
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HIT221058944
  • HIT ID:HIT221058944
  • Cas No:
  • 常用名:potassium 2-{5-[1-(5-{[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]penta-1,3-dien-1-yl}-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
    常用名:potassium 2-{5-[1-(5-{[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfonatoindol-2-ylidene]penta-1,3-dien-1-yl}-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
  • IUPAC:potassium 2-{5-[1-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
    IUPAC:potassium 2-{5-[1-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
  • InChI key:InChIKey=MUUAXSUNFUCXMP-UHFFFAOYSA-M
  • 分子式:C39H45KN4O9S2
  • 分子量:817.03
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[K+].CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
    SMILES:[K+].CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
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