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The molecular formula is C14H5KN2O14S2.
Some synonyms include POTASSIUM HYDROGEN 9,10-DIHYDRO-1,5-DIHYDROXY-4,8-DINITRO-9,10-DIOXOANTHRACENE-2,6-DISULFONATE and 93919-24-5.
The molecular weight is 528.4 g/mol.
The IUPAC name is potassium;1,5-dihydroxy-4,8-dinitro-9,10-dioxo-6-sulfoanthracene-2-sulfonate.
The InChIKey is UMPYOFXAGNQYMY-UHFFFAOYSA-M.
The canonical SMILES is C1=C(C2=C(C(=C1S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=C(C=C3[N+](=O)[O-])S(=O)(=O)[O-])O)[N+](=O)[O-].[K+].
Other identifiers include CAS number 93919-24-5 and European Community (EC) number 300-009-2.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 14.
Yes, it is a canonicalized compound.
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