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025

Summary
Name:3-(trifluoromethyl)benzenesulfonic acid
Formula:C7 H5 F3 O3 S
Formal charge:0
Formula weight:226.173 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(trifluoromethyl)benzenesulfonic acid
OpenEye OEToolkits1.7.03-(trifluoromethyl)benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(ccc1)S(=O)(=O)O
SMILES_CANONICALCACTVS3.370O[S](=O)(=O)c1cccc(c1)C(F)(F)F
SMILESCACTVS3.370O[S](=O)(=O)c1cccc(c1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F
InChIInChI1.03InChI=1S/C7H5F3O3S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H,11,12,13)
InChIKeyInChI1.03LVMOKIQHDKDNBI-UHFFFAOYSA-N

224931

PDB entries from 2024-09-11

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