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The molecular formula is C15H9F6NO4S.
The molecular weight is 413.3 g/mol.
It was created on September 25, 2009.
The IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]benzoic acid.
The InChI is InChI=1S/C15H9F6NO4S/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)22-27(25,26)12-3-1-8(2-4-12)13(23)24/h1-7,22H,(H,23,24).
The InChIKey is GHCRIIZVQKFNLE-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC=C1C(=O)O)S(=O)(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.
The XLogP3-AA value is 3.7.
It has 11 hydrogen bond acceptors.
Yes, the compound is canonicalized.
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