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CAS 123333-81-3

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Benzenesulfonic acid, 4,4′,4′′,4′′′-[2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl)]tetrakis-, tetrasodium salt, hydrate

Description:
Benzenesulfonic acid, 4,4′,4′′,4′′′-[2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl)]tetrakis-, tetrasodium salt, hydrate, is a complex organic compound characterized by its sulfonic acid functional group and a tetrakis structure involving multiple triazine rings. This compound is typically soluble in water due to the presence of sodium ions, which enhance its ionic character. The triazine moieties contribute to its potential applications in various fields, including pharmaceuticals and agrochemicals, owing to their biological activity and ability to form coordination complexes. The presence of the pyridine linkages may also impart unique electronic properties, making it useful in organic synthesis and materials science. As a hydrate, it contains water molecules in its crystalline structure, which can influence its stability and solubility. Overall, this compound exemplifies the intricate interplay of functional groups that can lead to diverse chemical behavior and potential applications in research and industry.
Formula:C35H23N7O12S4·xH2O·4Na
InChI:InChI=1S/C35H23N7O12S4.4Na.H2O/c43-55(44,45)25-9-1-20(2-10-25)30-32(22-5-13-27(14-6-22)57(49,50)51)39-41-34(37-30)24-17-18-36-29(19-24)35-38-31(21-3-11-26(12-4-21)56(46,47)48)33(40-42-35)23-7-15-28(16-8-23)58(52,53)54;;;;;/h1-19H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;1H2
InChI key:InChIKey=ZIUKYMJVOFJLIB-UHFFFAOYSA-N
SMILES:S(=O)(=O)(O)C1=CC=C(C=2C(=NN=C(N2)C=3C=C(N=CC3)C=4N=C(C(=NN4)C5=CC=C(S(=O)(=O)O)C=C5)C6=CC=C(S(=O)(=O)O)C=C6)C7=CC=C(S(=O)(=O)O)C=C7)C=C1.[Na].O
Synonyms:
  • Benzenesulfonic acid, 4,4′,4′′,4′′′-[2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl)]tetrakis-, tetrasodium salt, hydrate
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