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SummaryGeometryRelated PDB entries

SC4

Summary
Name:1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE
Formula:C21 H17 Cl3 O3
Formal charge:0
Formula weight:423.717 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,3-dichloro-2-({4-[(2-chloro-4-methoxyphenoxy)methyl]benzyl}oxy)benzene
OpenEye OEToolkits1.5.02-chloro-1-[[4-[(2,6-dichlorophenoxy)methyl]phenyl]methoxy]-4-methoxy-benzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(OC)cc2Cl
SMILES_CANONICALCACTVS3.341COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1
SMILESCACTVS3.341COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl
InChIInChI1.03InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3
InChIKeyInChI1.03XXMDDBVNWRWNCW-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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