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  • mercury(+2) cation;,1-[(4-methylphenyl)methyl]-4,5-diphenylpyridin-1-
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight935.60188 [g/mol]
    Molecular FormulaC50H42HgN2S2+2
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count10
    Exact Mass936.249567
    MonoIsotopic Mass936.249567
    Topological Polar Surface Area7.8
    Heavy Atom Count55
    Formal Charge2
    Complexity952
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count3

    [ Descriptors Computed from Structure]
    IUPAC Name: mercury(+2) cation;
    1-[(4-methylphenyl)methyl]-4,5-diphenylpyridin-1-ium-2-thiolate
    Canonical SMILES: CC1=CC=C(C=C1)C[N+]2=C(C=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)[S-].CC1=CC=C
    (C=C1)C[N+]2=C(C=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)[S-].[Hg+2]
    InChI: InChI=1/2C25H21NS.Hg/c2*1-19-12-14-20(15-13-19)17-26-18-24(22-10-6-3-7-
    11-22)23(16-25(26)27)21-8-4-2-5-9-21;/h2*2-16,18H,17H2,1H3;/q;;+2

    ChemDrug版权识别码:1866473752615285400
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