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  • 4'-Nitrobenzo-18-crown 6-Ether

    • 4'-Nitrobenzo-18-crown 6-Ether

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    Catalog Number
    ACM53408961-1
    Product Name
    4'-Nitrobenzo-18-crown 6-Ether
    Structure
    CAS
    53408-96-1
    Category
    Macrocycles
    IUPAC Name
    20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
    Molecular Weight
    357.36g/mol
    Molecular Formula
    C16H23NO8
    Canonical SMILES
    C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
    InChI
    InChI=1S/C16H23NO8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2
    InChI Key
    LQXOKBZWNFJJGI-UHFFFAOYSA-N
    Complexity
    365
    Covalently-Bonded Unit Count
    1
    Exact Mass
    357.142367g/mol
    Formal Charge
    0
    Heavy Atom Count
    25
    Monoisotopic Mass
    357.142367g/mol
    Rotatable Bond Count
    0
    XLogP3
    0.1
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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