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

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Properties Simple | Detailed

Formula C20H12Cl4I4O5
IUPAC Name 2,3,4,5-tetrachloro-6-(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 981.736 g·mol−1
Heat of Formation -225.0 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 615.36 Å 3
Surface Area 475.87 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 11121-48-5 (free acid)
  • 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-keto-xanthen-9-yl)benzoic acid
  • 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid
  • 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-xanthen-9-yl)benzoic acid
  • 24545-87-7 (dipotassium)
  • 4,5,6,7-tetrachloro-3'-6'-dihydroxy-2',4',5',7'-tetraiosospiro[isobenzofuran-1(3h),9'-[9h]xanthen[-3-one
  • 632-69-9 (disodium)
  • 74198-03-1 (disodium)
  • acid red 94
  • c.i.45440
  • tetraiodotetrachlorofluorescein
InChIKey VDNLFJGJEQUWRB-UHFFFAOYSA-N
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