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HIT219649575
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HIT219649575
  • HIT ID:HIT219649575
  • Cas No:146397-17-3
  • 常用名:1-(5-carboxypentyl)-2-{3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-en-1-yl}-3,3-dimethylindol-1-ium-5-sulfonate
    常用名:1-(5-carboxypentyl)-2-{3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-en-1-yl}-3,3-dimethylindol-1-ium-5-sulfonate
  • IUPAC:1-(5-carboxypentyl)-2-{3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl}-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
    IUPAC:1-(5-carboxypentyl)-2-{3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl}-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
  • InChI key:InChIKey=AYFNGAVPORGJOD-UHFFFAOYSA-N
  • 分子式:C35H44N2O10S2
  • 分子量:716.86
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC1(C)C(=CC=CC2=[N+](CCCCCC(O)=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCCC(O)=O)c2ccc(cc12)S(O)(=O)=O
    SMILES:CC1(C)C(=CC=CC2=[N+](CCCCCC(O)=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCCC(O)=O)c2ccc(cc12)S(O)(=O)=O
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