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  • 3-(2-Pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5''-disulfonic acid disodium salt

  • 3-(2-Pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5''-disulfonic acid disodium salt

    Catalog Number
    ACM79551147-2
    CAS Number
    79551-14-7
    Product Name
    3-(2-Pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5''-disulfonic acid disodium salt
    Structure
    Category
    Salt
    IUPAC Name
    disodium;5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate
    Molecular Weight
    494.4g/mol
    Molecular Formula
    C16H8N4Na2O8S2
    Canonical SMILES
    C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-].[Na+].[Na+]
    InChI
    InChI=1S/C16H10N4O8S2.2Na/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
    InChI Key
    IVLSEFOVPQFJBB-UHFFFAOYSA-L
    Complexity
    787
    Covalently-Bonded Unit Count
    3
    Exact Mass
    493.957894g/mol
    Formal Charge
    0
    Heavy Atom Count
    32
    MeSH Entry Terms
    3-(2-pyridyl)-5,6-bis(2-(furylsulfonic acid))-1,2,4-triazine;ferene;Ferene-S
    Monoisotopic Mass
    493.957894g/mol
    Rotatable Bond Count
    3
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