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The molecular formula is C13H12N2O6S.
The compound was created on August 8, 2005, and modified on December 30, 2023.
The IUPAC name of the compound is 2-(2-methoxyanilino)-5-nitrobenzenesulfonic acid.
The InChI of the compound is InChI=1S/C13H12N2O6S/c1-21-12-5-3-2-4-10(12)14-11-7-6-9(15(16)17)8-13(11)22(18,19)20/h2-8,14H,1H3,(H,18,19,20).
The InChIKey of the compound is UVZAZEGYBWJOKY-UHFFFAOYSA-N.
The canonical SMILES of the compound is COC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.
The CAS number of the compound is 91-27-0.
The European Community (EC) number of the compound is 202-055-8.
The molecular weight of the compound is 324.31 g/mol.
The compound has a hydrogen bond donor count of 2 and a hydrogen bond acceptor count of 7.
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