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T4A

Summary
Name:3,3',5,5'-TETRAIODOTHYROACETIC ACID
Formula:C14 H8 I4 O4
Formal charge:0
Formula weight:747.829 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O
SMILES_CANONICALCACTVS3.341OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
SMILESCACTVS3.341OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
InChIInChI1.03InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
InChIKeyInChI1.03PPJYSSNKSXAVDB-UHFFFAOYSA-N

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건을2024-07-10부터공개중

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