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

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    Ponceau Rn

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    2D Structure
    1. Also known as:
    Molecular Formula
    C19H16N2Na2O7S2
    Molecular Weight
    494.5  g/mol
    InChI Key
    IZJTYWDKWZYJNW-GQKUHHGYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;(4E)-3-oxo-4-[(2,4,5-trimethylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate
    2.1.2 InChI
    InChI=1S/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,20H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b21-18+;;
    2.1.3 InChI Key
    IZJTYWDKWZYJNW-GQKUHHGYSA-L
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+]
    2.1.5 Isomeric SMILES
    CC1=CC(=C(C=C1C)N/N=C/2\C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+]
    2.2 Create Date
    2005-11-20
    3 Chemical and Physical Properties
    Molecular Weight 494.5 g/mol
    Molecular Formula C19H16N2Na2O7S2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass494.01943176 g/mol
    Monoisotopic Mass494.01943176 g/mol
    Topological Polar Surface Area173 A^2
    Heavy Atom Count32
    Formal Charge0
    Complexity933
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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