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  • Sulfonyldiethylenedipyridinium, dichloride,Bis(beta-pyridiniumethyl)su
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Sulfonyldiethylenedipyridinium, dichloride
    Bis(beta-pyridiniumethyl)sulfone dichloride
    Pyridinium, sulfonyldiethylenedi-, dichloride
    LS-132906
    Pyridinium, 1,1'-(sulfonyldi-2,1-ethanediyl)bis-, dichloride
    7606-41-9

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight349.27592 [g/mol]
    Molecular FormulaC14H18Cl2N2O2S
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count6
    Exact Mass348.046604
    MonoIsotopic Mass348.046604
    Topological Polar Surface Area41.9
    Heavy Atom Count21
    Formal Charge0
    Complexity311
    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: 1-[2-(2-pyridin-1-ium-1-ylethylsulfonyl)ethyl]pyridin-1-ium dichloride
    Canonical SMILES: C1=CC=[N+](C=C1)CCS(=O)(=O)CC[N+]2=CC=CC=C2.[Cl-].[Cl-]
    InChI: InChI=1/C14H18N2O2S.2ClH/c17-19(18,
    13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h1-10H,
    11-14H2;2*1H/q+2;;/p-2/fC14H18N2O2S.2Cl/h;2*1h/qm;2*-1

    ChemDrug版权识别码:3678746012280504136
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