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SummaryGeometryRelated PDB entries

4HY

Summary
Name:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Formula:C14 H9 I3 O4
Formal charge:0
Formula weight:621.932 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
OpenEye OEToolkits1.5.02-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)ccc2O
SMILES_CANONICALCACTVS3.341OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
SMILESCACTVS3.341OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O
InChIInChI1.03InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
InChIKeyInChI1.03UOWZUVNAGUAEQC-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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