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  • Mercaptomerine ,Thiomerin ,MERCAPTOMERIN ,Mercaptomerine [INN-French],
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    Mercaptomerine
    Thiomerin
    MERCAPTOMERIN
    Mercaptomerine [INN-French]
    Mercaptomerinum [INN-Latin]
    Mercaptomerin [INN:BAN]
    Mercaptomerina [INN-Spanish]
    HSDB 3356
    Acetic acid, mercapto-, mercury complex
    LS-89695

    [Structure]
    Mercaptomerine ,Thiomerin ,MERCAPTOMERIN ,Mercaptomerine [INN-French],

    [ Properties Computed from Structure]
    Molecular Weight562.04368 [g/mol]
    Molecular FormulaC16H27HgNO6S
    H-Bond Donor1
    H-Bond Acceptor7
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass563.126534
    MonoIsotopic Mass563.126534
    Topological Polar Surface Area119
    Heavy Atom Count25
    Formal Charge0
    Complexity417
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count3
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count4

    [ Descriptors Computed from Structure]
    IUPAC Name: [3-[(3-carboxylato-2,2,
    3-trimethylcyclopentanecarbonyl)amino]-2-methoxypropyl]mercury; hydron;
    2-sulfidoacetate
    Canonical SMILES: [H+].[H+].CC1(C(CCC1(C)C(=O)[O-])C(=O)NCC(C[Hg+])OC)C.C(C(=O)[O-])[S-]
    InChI: InChI=1/C14H24NO4.C2H4O2S.Hg/c1-9(19-5)8-15-11(16)10-6-7-14(4,
    12(17)18)13(10,2)3;3-2(4)1-5;/h9-10H,1,6-8H2,2-5H3,(H,15,16)(H,17,
    18);5H,1H2,(H,3,
    4);/q;;+1/p-1/fC14H23NO4.C2H2O2S.Hg.2H/h15H;5h;;;/q-1;-2;m;2*+1/
    rC14H24HgNO4.C2H4O2S/c1-13(2)10(5-6-14(13,
    3)12(18)19)11(17)16-8-9(7-15)20-4;3-2(4)1-5/h9-10H,5-8H2,1-4H3,(H,16,
    17)(H,18,19);5H,1H2,(H,3,
    4)/q+1;/p-1/fC14H23HgNO4.C2H2O2S.2H/h16H;5h;;/q;-2;2*+1

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