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HIT218929480
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HIT218929480
  • HIT ID:HIT218929480
  • Cas No:2090339-69-6
  • 常用名:3-(4-carboxybutyl)-2-{5-[3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)indol-2-ylidene]penta-1,3-dien-1-yl}-3-methyl-5-sulfo-1-(3-sulfonatopropyl)indol-1-ium
    常用名:3-(4-carboxybutyl)-2-{5-[3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)indol-2-ylidene]penta-1,3-dien-1-yl}-3-methyl-5-sulfo-1-(3-sulfonatopropyl)indol-1-ium
  • IUPAC:3-(4-carboxybutyl)-2-{5-[3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-3-methyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium
    IUPAC:3-(4-carboxybutyl)-2-{5-[3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-3-methyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium
  • InChI key:ZEZFIVLTPHEDEV-UHFFFAOYSA-M
  • 分子式:C35H43N2O14S4
  • 分子量:843.97
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC1(C)C(=CC=CC=CC2=[N+](CCCS([O-])(=O)=O)c3ccc(cc3C2(C)CCCCC(O)=O)S(O)(=O)=O)N(CCCS([O-])(=O)=O)c2ccc(cc12)S(O)(=O)=O
    SMILES:CC1(C)C(=CC=CC=CC2=[N+](CCCS([O-])(=O)=O)c3ccc(cc3C2(C)CCCCC(O)=O)S(O)(=O)=O)N(CCCS([O-])(=O)=O)c2ccc(cc12)S(O)(=O)=O
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