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  • 1-Butyl-2-(2-[3-[2-(1-butyl-1H-benzo[cd]indol-2-ylidene)-ethylidene]-2-chloro-cyclohex-1-enyl]-vinyl)-benzo[cd]indolium tetrafluoroborate

  • 1-Butyl-2-(2-[3-[2-(1-butyl-1H-benzo[cd]indol-2-ylidene)-ethylidene]-2-chloro-cyclohex-1-enyl]-vinyl)-benzo[cd]indolium tetrafluoroborate

    Catalog Number
    ACM913633677-2
    CAS Number
    913633-67-7
    Product Name
    1-Butyl-2-(2-[3-[2-(1-butyl-1H-benzo[cd]indol-2-ylidene)-ethylidene]-2-chloro-cyclohex-1-enyl]-vinyl)-benzo[cd]indolium tetrafluoroborate
    Structure
    Category
    Solvent Soluble Cyanine Dyes
    IUPAC Name
    (2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]benzo[cd]indole;tetrafluoroborate
    Molecular Weight
    671.03
    Molecular Formula
    C40H40BClF4N2
    Canonical SMILES
    [B-](F)(F)(F)F.CCCCN1C2=CC=CC3=C2C(=CC=C3)C1=CC=C4CCCC(=C4Cl)C=CC5=[N+](C6=CC=CC7=C6C5=CC=C7)CCCC
    InChI
    InChI=1S/C40H40ClN2.BF4/c1-3-5-26-42-34(32-18-8-12-28-14-10-20-36(42)38(28)32)24-22-30-16-7-17-31(40(30)41)23-25-35-33-19-9-13-29-15-11-21-37(39(29)33)43(35)27-6-4-2;2-1(3,4)5/h8-15,18-25H,3-7,16-17,26-27H2,1-2H3;/q+1;-1
    InChI Key
    UTAGKTNDTLMRTI-UHFFFAOYSA-N
    Absorption Maximum
    1014 nm
    Isomeric SMILES
    [B-](F)(F)(F)F.CCCCN\1C2=CC=CC3=C2C(=CC=C3)/C1=C\C=C\4/CCCC(=C4Cl)/C=C/C5=[N+](C6=CC=CC7=C6C5=CC=C7)CCCC
    Solvent
    MeOH
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