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TCD

Summary
Name:3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
Formula:C16 H8 Cl4 N2 O2
Formal charge:0
Formula weight:402.059 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine)
OpenEye OEToolkits1.5.03,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl)cc1Cl)cc2
SMILES_CANONICALCACTVS3.341Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1
SMILESCACTVS3.341Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl
InChIInChI1.03InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
InChIKeyInChI1.03BAFKRPOFIYPKBQ-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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