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  • Copper(ii)2 3 9 10 16 17 23 24-octakis&

  • Copper(ii)2 3 9 10 16 17 23 24-octakis&

    Catalog Number
    ACM119495099
    CAS Number
    119495-09-9
    Product Name
    Copper(ii)2 3 9 10 16 17 23 24-octakis&
    Structure
    Category
    Other Materials
    Synonyms
    COPPER(II) 2 3 9 10 16 17 23 24-OCTAKIS&;copper(ii) 2,3,9,10,16,17,23,24-octakis-(octyloxy;Copper(II) 2,3,9,10,16,17,23,24-octakis(octyloxy)-29H,31H-phthalocyanine Dye content 95 %
    IUPAC Name
    copper;6,7,15,16,24,25,33,34-octaoctoxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
    Molecular Weight
    1601.8g/mol
    Molecular Formula
    C96H144CuN8O8
    Canonical SMILES
    CCCCCCCCOC1=CC2=C3[N-]C(=C2C=C1OCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=NC8=NC(=N3)C9=CC(=C(C=C98)OCCCCCCCC)OCCCCCCCC)[N-]6)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC.[Cu+2]
    InChI
    InChI=1S/C96H144N8O8.Cu/c1-9-17-25-33-41-49-57-105-81-65-73-74(66-82(81)106-58-50-42-34-26-18-10-2)90-97-89(73)101-91-75-67-83(107-59-51-43-35-27-19-11-3)84(108-60-52-44-36-28-20-12-4)68-76(75)93(98-91)103-95-79-71-87(111-63-55-47-39-31-23-15-7)88(112-64-56-48-40-32-24-16-8)72-80(79)96(100-95)104-94-78-70-86(110-62-54-46-38-30-22-14-6)85(69-77(78)92(99-94)102-90)109-61-53-45-37-29-21-13-5;/h65-72H,9-64H2,1-8H3;/q-2;+2
    InChI Key
    GIAVAZMIHRPGQC-UHFFFAOYSA-N
    Complexity
    2340
    Covalently-Bonded Unit Count
    2
    Exact Mass
    1601.043666g/mol
    Formal Charge
    0
    Heavy Atom Count
    113
    Monoisotopic Mass
    1600.040311g/mol
    Rotatable Bond Count
    64
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