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  • 1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide

  • 1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide

    Catalog Number
    ACM165678320
    Product Name
    1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide
    Structure
    CAS
    165678-32-0
    Category
    Charge Transfer Complexes
    IUPAC Name
    1-octadecyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridin-1-ium;bromide
    Molecular Weight
    540.7g/mol
    Molecular Formula
    C33H50BrN
    SMILES
    CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.[Br-]
    InChI
    InChI=1S/C33H50N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-34-30-27-33(28-31-34)26-21-20-25-32-23-18-17-19-24-32;/h17-21,23-28,30-31H,2-16,22,29H2,1H3;1H/q+1;/p-1/b25-20+,26-21+;
    InChIKey
    GERCFVKULBVBIO-MNKMQPBCSA-M
    Purity
    >96.0%(T)
    Status
    0
    Complexity
    479
    Formal Charge
    0
    Exact Mass
    539.31266g/mol
    Monoisotopic Mass
    539.31266g/mol
    Covalently-Bonded Unit Count
    2
    Heavy Atom Count
    35
    Rotatable Bond Count
    20
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