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D1L

Summary
Name:2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID
Formula:C15 H12 Cl2 O4
Formal charge:0
Formula weight:327.159 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
OpenEye OEToolkits1.5.0(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2cc(Cl)ccc2Oc1ccc(OC(C(=O)O)C)cc1
SMILES_CANONICALCACTVS3.341C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
SMILESCACTVS3.341C[CH](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
SMILESOpenEye OEToolkits1.5.0CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
InChIInChI1.03InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyInChI1.03OOLBCHYXZDXLDS-SECBINFHSA-N

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PDB entries from 2024-06-12

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