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    Technical details about Ponceau Xylidine, learn more about the structure, uses, toxicity, action, side effects and more

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    Ponceau Xylidine

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as:
    Molecular Formula
    C18H16N2O7S2
    Molecular Weight
    436.5  g/mol
    InChI Key
    SOAAGHDAWFEEPP-JZJYNLBNSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4Z)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonic acid
    2.1.2 InChI
    InChI=1S/C18H16N2O7S2/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-17-
    2.1.3 InChI Key
    SOAAGHDAWFEEPP-JZJYNLBNSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)O)C=C(C2=O)S(=O)(=O)O)C
    2.1.5 Isomeric SMILES
    CC1=CC(=C(C=C1)N/N=C\2/C3=C(C=C(C=C3)S(=O)(=O)O)C=C(C2=O)S(=O)(=O)O)C
    2.2 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 436.5 g/mol
    Molecular Formula C18H16N2O7S2
    XLogP32.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass436.03989320 g/mol
    Monoisotopic Mass436.03989320 g/mol
    Topological Polar Surface Area167 A^2
    Heavy Atom Count29
    Formal Charge0
    Complexity928
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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