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HIT212716068
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HIT212716068
  • HIT ID:HIT212716068
  • Cas No:25738-40-3
  • 常用名:Fast Green free acid
  • 别名:J247.014D
  • IUPAC:3-({ethyl[(1E,4E)-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl}methyl)benzene-1-sulfonate
    IUPAC:3-({ethyl[(1E,4E)-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl}methyl)benzene-1-sulfonate
  • InChI key:VVJKKKDJADMKNM-UHFFFAOYSA-N
  • 分子式:C37H36N2O10S3
  • 分子量:764.88
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):11
  • LogP:2.312153
  • SMILES:CCN(Cc1cccc(c1)S(O)(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(O)cc1S(O)(=O)=O |c:24,27,(4,-20.79,;4,-19.25,;2.67,-18.48,;1.33,-19.25,;1.33,-20.79,;2.67,-21.56,;2.67,-23.1,;1.33,-23.87,;,-23.1,;,-21.56,;-1.33,-23.87,;-2.1,-22.54,;-2.67,-24.64,;-.56,-25.2,;2.67,-16.94,;4,-16.17,;4,-14.63,;2.67,-13.86,;1.33,-14.63,;1.33,-16.17,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;,-12.32,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-4,-10.01,;-5.33,-9.24,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-5.33,-7.7,;-6.67,-5.39,;-8.21,-5.39,;-6.67,-3.85,;-5.13,-5.39,;4,-11.55,;4,-10.01,;5.33,-9.24,;6.67,-10.01,;8,-9.24,;6.67,-11.55,;5.33,-12.32,;5.33,-13.86,;3.79,-13.86,;5.33,-15.4,;6.87,-13.86,)|
    SMILES:CCN(Cc1cccc(c1)S(O)(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(O)cc1S(O)(=O)=O |c:24,27,(4,-20.79,;4,-19.25,;2.67,-18.48,;1.33,-19.25,;1.33,-20.79,;2.67,-21.56,;2.67,-23.1,;1.33,-23.87,;,-23.1,;,-21.56,;-1.33,-23.87,;-2.1,-22.54,;-2.67,-24.64,;-.56,-25.2,;2.67,-16.94,;4,-16.17,;4,-14.63,;2.67,-13.86,;1.33,-14.63,;1.33,-16.17,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;,-12.32,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-4,-10.01,;-5.33,-9.24,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-5.33,-7.7,;-6.67,-5.39,;-8.21,-5.39,;-6.67,-3.85,;-5.13,-5.39,;4,-11.55,;4,-10.01,;5.33,-9.24,;6.67,-10.01,;8,-9.24,;6.67,-11.55,;5.33,-12.32,;5.33,-13.86,;3.79,-13.86,;5.33,-15.4,;6.87,-13.86,)|
  • Fast Green free acid is a dye that resists acid once applied.
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