No label defined (Q4750)

From Chemical Compounds of Interest
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chemical compound
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English
No label defined
chemical compound

    Statements

    SMILES (without stereochemistry)
    [Na+].[Na+].[H]O[H].Oc1ccc(cc1S([O-])(=O)=O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O
    0 references
    chemical formula
    C₂₀H₁₀Br₄Na₂O₁₁S₂
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C20H10Br4O10S2.2Na.H2O/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;;1H2/q;2*+1;/p-2
    1 reference
    based on heuristic
    inferred from SMILES
     
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