{3,5-Diiodo-4-[3-Iodo-4-(Sulfooxy)Phenoxy]Phenyl}Acetic Acid

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Properties Simple | Detailed

Formula C14H9I3O7S
IUPAC Name 2-[3,5-diiodo-4-(3-iodo-4-sulfooxy-phenoxy)phenyl]acetic acid
Molecular Mass 701.995 g·mol−1
Heat of Formation -787.9 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 461.0 Å 3
Surface Area 386.17 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3,5-diiodo-4-(3-iodo-4-sulfooxy-phenoxy)phenyl]ethanoic acid
  • 2-[3,5-diiodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]acetic acid
  • 2-[3,5-diiodo-4-(3-iodo-4-sulfoxy-phenoxy)phenyl]acetic acid
  • 3,3',5-triiodothyroacetic acid sulfate
  • acetic acid, (4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, hydrogen sulfate
  • ta3 sulfate
CAS Number(s)
  • 95786-11-1
InChIKey RQFIRFIYGYWVRP-UHFFFAOYSA-N
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