2-(6-Hydroxy-2,4,5,7-Tetraiodo-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid

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Formula C20H16I4O5
IUPAC Name 2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-1h-xanthene-1,2,3,4,4a,8a,9,9a-octaid-9-yl)benzoic acid
Molecular Mass 843.956 g·mol−1
Heat of Formation -109.2 ± 16.7 kJ·mol−1
Dipole Moment 7.98 ± 1.08 D
Volume 524.98 Å 3
Surface Area 424.02 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-hydroxy-2,4,5,7-tetraiodo-6-keto-xanthen-9-yl)benzoic acid
  • 2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid
  • 2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-xanthen-9-yl)benzoic acid
  • benzoic acid, 2-(6-hydroxy-2,4,5,7-tetroiodo-3-oxo-3h-xanthen-9-yl)-
  • erythrosin(e)
  • tif
CAS Number(s)
  • 548-25-4
InChIKey LAINPTZBIXYTIZ-UHFFFAOYSA-N
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