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    IUPAC Name: [3-chloro-3-(4-phenylphenyl)prop-2-enylidene]-dimethylazan

  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight370.22718 [g/mol]
    Molecular FormulaC17H17Cl2NO4
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count3
    Exact Mass369.053463
    MonoIsotopic Mass369.053463
    Topological Polar Surface Area77.3
    Heavy Atom Count24
    Formal Charge0
    Complexity423
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: [3-chloro-3-(4-phenylphenyl)prop-2-enylidene]-dimethylazanium
    perchlorate
    Canonical SMILES: C[N+](=CC=C(C1=CC=C(C=C1)C2=CC=CC=C2)Cl)C.[O-]Cl(=O)(=O)=O
    InChI: InChI=1/C17H17ClN.ClHO4/c1-19(2)13-12-17(18)16-10-8-15(9-11-16)14-6-4-3-
    5-7-14;2-1(3,4)5/h3-13H,1-2H3;(H,2,3,4,5)/q+1;/p-1/fC17H17ClN.ClO4/qm;-1

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