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HIT214318978
 sdf 文件
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HIT214318978
  • HIT ID:HIT214318978
  • Cas No:3374-30-9
  • 常用名:Alphazurine A
  • IUPAC:2-({4-[benzyl(ethyl)amino]phenyl}[(1E,4E)-4-[benzyl(ethyl)iminiumyl]cyclohexa-2,5-dien-1-ylidene]methyl)-4-hydroxy-5-sulfobenzene-1-sulfonate calcium dihydride
    IUPAC:2-({4-[benzyl(ethyl)amino]phenyl}[(1E,4E)-4-[benzyl(ethyl)iminiumyl]cyclohexa-2,5-dien-1-ylidene]methyl)-4-hydroxy-5-sulfobenzene-1-sulfonate calcium dihydride
  • InChI key:YGVITJGKHBDMLK-UHFFFAOYSA-N
  • 分子式:C37H36CaN2O7S2
  • 分子量:724.9
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[CaH2].CCN(Cc1ccccc1)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1ccccc1)c1cc(O)c(cc1S([O-])(=O)=O)S(O)(=O)=O |c:20,23,(;7.96,-6.22,;9.29,-5.45,;9.29,-3.91,;7.96,-3.14,;6.63,-3.91,;6.63,-5.45,;5.29,-6.22,;3.96,-5.45,;3.96,-3.91,;5.29,-3.14,;10.63,-3.14,;11.96,-3.91,;13.3,-3.14,;13.3,-1.6,;11.96,-.83,;10.63,-1.6,;14.63,-.83,;14.63,.71,;13.3,1.48,;13.3,3.02,;14.63,3.79,;15.96,3.02,;15.96,1.48,;14.63,5.33,;15.96,6.1,;15.96,7.64,;13.3,6.1,;13.3,7.64,;11.96,8.41,;11.96,9.95,;13.3,10.72,;14.63,9.95,;14.63,8.41,;15.96,-1.6,;15.96,-3.14,;17.3,-3.91,;17.3,-5.45,;18.63,-3.14,;18.63,-1.6,;17.3,-.83,;17.3,.71,;18.84,.71,;17.3,2.25,;15.76,.71,;19.96,-3.91,;20.73,-2.58,;21.3,-4.68,;19.19,-5.25,)|
    SMILES:[CaH2].CCN(Cc1ccccc1)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1ccccc1)c1cc(O)c(cc1S([O-])(=O)=O)S(O)(=O)=O |c:20,23,(;7.96,-6.22,;9.29,-5.45,;9.29,-3.91,;7.96,-3.14,;6.63,-3.91,;6.63,-5.45,;5.29,-6.22,;3.96,-5.45,;3.96,-3.91,;5.29,-3.14,;10.63,-3.14,;11.96,-3.91,;13.3,-3.14,;13.3,-1.6,;11.96,-.83,;10.63,-1.6,;14.63,-.83,;14.63,.71,;13.3,1.48,;13.3,3.02,;14.63,3.79,;15.96,3.02,;15.96,1.48,;14.63,5.33,;15.96,6.1,;15.96,7.64,;13.3,6.1,;13.3,7.64,;11.96,8.41,;11.96,9.95,;13.3,10.72,;14.63,9.95,;14.63,8.41,;15.96,-1.6,;15.96,-3.14,;17.3,-3.91,;17.3,-5.45,;18.63,-3.14,;18.63,-1.6,;17.3,-.83,;17.3,.71,;18.84,.71,;17.3,2.25,;15.76,.71,;19.96,-3.91,;20.73,-2.58,;21.3,-4.68,;19.19,-5.25,)|
  • Alphazurine A is a blue dye.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    3-6月
    纯度
    -
    待询
    1

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