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The molecular formula is C12H9NO5S.
The PubChem CID is 53425882.
The molecular weight is 279.27 g/mol.
The IUPAC name is 4-(4-nitrophenyl)benzenesulfonic acid.
The InChI is InChI=1S/C12H9NO5S/c14-13(15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19(16,17)18/h1-8H,(H,16,17,18).
The InChIKey is YTLRCQWMAYGBFQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].
The CAS number is 91493-72-0.
The XLogP3-AA value is 2.1.
Yes, it is a canonicalized compound in PubChem.
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