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F5A

Summary
Name:2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
Formula:C17 H15 Cl O4
Formal charge:0
Formula weight:318.752 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
OpenEye OEToolkits2.0.62-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O
InChIInChI1.03InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
InChIKeyInChI1.03MQOBSOSZFYZQOK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(O)=O
SMILESCACTVS3.385CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl
SMILESOpenEye OEToolkits2.0.6CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl

218853

PDB entries from 2024-04-24

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