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  • 4,8-Bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene

  • 4,8-Bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene

    Catalog Number
    ACM1321590786-1
    CAS Number
    1321590-78-6
    Product Name
    4,8-Bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene
    Category
    Semiconductor Blocks
    IUPAC Name
    4,8-bis(2-butyloctoxy)thieno[2,3-f][1]benzothiole
    Molecular Weight
    558.9g/mol
    Molecular Formula
    C34H54O2S2
    Canonical SMILES
    CCCCCCC(CCCC)COC1=C2C=CSC2=C(C3=C1SC=C3)OCC(CCCC)CCCCCC
    InChI
    InChI=1S/C34H54O2S2/c1-5-9-13-15-19-27(17-11-7-3)25-35-31-29-21-23-38-34(29)32(30-22-24-37-33(30)31)36-26-28(18-12-8-4)20-16-14-10-6-2/h21-24,27-28H,5-20,25-26H2,1-4H3
    InChI Key
    KXMWEJMSZOOOGR-UHFFFAOYSA-N
    Complexity
    537
    Covalently-Bonded Unit Count
    1
    Exact Mass
    558.356523g/mol
    Formal Charge
    0
    Heavy Atom Count
    38
    Monoisotopic Mass
    558.356523g/mol
    Rotatable Bond Count
    22
    XLogP3
    14.5
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