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  • 3-Butyl-1,1-dimethyl-2-[3-(1,1,3-trimethyl-1,3-dihydro-benzo[e]indol-2-ylidene)-propenyl]-1H-benzo[e]indolium hexafluorophosphate

  • 3-Butyl-1,1-dimethyl-2-[3-(1,1,3-trimethyl-1,3-dihydro-benzo[e]indol-2-ylidene)-propenyl]-1H-benzo[e]indolium hexafluorophosphate

    Catalog Number
    ACM356062629-2
    CAS Number
    356062-62-9
    Product Name
    3-Butyl-1,1-dimethyl-2-[3-(1,1,3-trimethyl-1,3-dihydro-benzo[e]indol-2-ylidene)-propenyl]-1H-benzo[e]indolium hexafluorophosphate
    Structure
    Category
    Solvent Soluble Cyanine Dyes
    IUPAC Name
    2-[(E,3E)-3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,1,3-trimethylbenzo[e]indol-3-ium;hexafluorophosphate
    Molecular Weight
    644.68
    Molecular Formula
    C36H39F6N2P
    Canonical SMILES
    CCCCN1C2=C(C3=CC=CC=C3C=C2)C(C1=CC=CC4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)C)(C)C.F[P-](F)(F)(F)(F)F
    InChI
    InChI=1S/C36H39N2.F6P/c1-7-8-24-38-30-23-21-26-15-10-12-17-28(26)34(30)36(4,5)32(38)19-13-18-31-35(2,3)33-27-16-11-9-14-25(27)20-22-29(33)37(31)6;1-7(2,3,4,5)6/h9-23H,7-8,24H2,1-6H3;/q+1;-1
    InChI Key
    GEOIXQSTSLTWOU-UHFFFAOYSA-N
    Absorption Maximum
    586 nm
    Isomeric SMILES
    CCCCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\C4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)C)(C)C.F[P-](F)(F)(F)(F)F
    Solvent
    MeOH
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