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  • 4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride

  • 4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride

    Catalog Number
    ACM1296211783
    CAS Number
    1296211-78-3
    Product Name
    4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride
    Category
    Carbon Nanomaterials; Nanotubes
    IUPAC Name
    butyl-[[4-[[4-[(E)-2-[4-[[4-[[butyl(dimethyl)azaniumyl]methyl]benzoyl]amino]phenyl]ethenyl]phenyl]carbamoyl]phenyl]methyl]-dimethylazanium;dichloride
    Molecular Weight
    717.8g/mol
    Molecular Formula
    C42H54Cl2N4O2
    Canonical SMILES
    CCCC[N+](C)(C)CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C=CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C[N+](C)(C)CCCC.[Cl-].[Cl-]
    InChI
    InChI=1S/C42H52N4O2.2ClH/c1-7-9-29-45(3,4)31-35-13-21-37(22-14-35)41(47)43-39-25-17-33(18-26-39)11-12-34-19-27-40(28-20-34)44-42(48)38-23-15-36(16-24-38)32-46(5,6)30-10-8-2;;/h11-28H,7-10,29-32H2,1-6H3;2*1H/b12-11+;;
    InChI Key
    BIMYMMDLQUWTSZ-YHPRVSEPSA-N
    Complexity
    898
    Covalently-Bonded Unit Count
    3
    Exact Mass
    716.362382g/mol
    Formal Charge
    0
    Heavy Atom Count
    50
    Monoisotopic Mass
    716.362382g/mol
    Rotatable Bond Count
    16
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