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BKW

Summary
Name:2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid
Formula:C21 H18 O5 S
Formal charge:0
Formula weight:382.43 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
InChIKeyInChI1.03FIPYOKGRSDJCAR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(O)=O
SMILESCACTVS3.385COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O

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PDB entries from 2024-07-17

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