4,5,6,7-Tetrachloro-3',6'-Dihydroxy-2',4',5',7'-Tetraiodo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Properties Simple | Detailed

Formula C20H4Cl4I4O5
IUPAC Name 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 973.673 g·mol−1
Heat of Formation -258.9 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 601.22 Å 3
Surface Area 466.69 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-1-spiro[isobenzofuran-3,9'-xanthene]one
  • 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3h),9'(9h)-xanthen)-3-one
  • rose bengal lactone
  • spiro(isobenzofuran-1(3h),9'(9h)-xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-
CAS Number(s)
  • 152-74-9
InChIKey IICCLYANAQEHCI-UHFFFAOYSA-N
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