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  • Merocyanin 540

    • Merocyanin 540

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    Catalog Number
    ACM62796230-2
    CAS Number
    62796-23-0
    Product Name
    Merocyanin 540
    Structure
    Category
    Organic Solar Cell (OPV) Materials
    Synonyms
    2-[4-(1,3-Dibutyl-1,3,4,6-tetrahydro-4,6-dioxo-2-thioxopyrimidin-5(2H)-ylidene)-2-butenylidene]-3(2H)-benzoxazolepropane-1-sulfonicacid sodium salt
    IUPAC Name
    Sodium;3-[(2Z)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
    Molecular Weight
    569.67
    Molecular Formula
    C26H32N3O6S2
    Canonical SMILES
    CCCCN1C(=O)C(=C/C=C/C=C\2/N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]
    InChI
    InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15-;
    InChI Key
    OSQUFVVXNRMSHL-LTHRDKTGSA-M
    Melting Point
    285 °C
    Purity
    90%+
    Appearance
    Blue solid
    Storage
    Stored at -20 °C
    Complexity
    1020
    Covalently-Bonded Unit Count
    2
    Exact Mass
    569.163022g/mol
    Formal Charge
    0
    Heavy Atom Count
    38
    Monoisotopic Mass
    569.163022g/mol
    Rotatable Bond Count
    12
    UNII
    BS0KSN6L1U
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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