3',6'-Dihydroxy-4',5'-Diiodo-5-Isothiocyanato-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Properties Simple | Detailed

Formula C21H9I2NO5S
IUPAC Name 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 641.174 g·mol−1
Heat of Formation -142.4 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 478.03 Å 3
Surface Area 394.81 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one
  • 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
  • diiodofluorescein isothiocyanate
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 3',6'-dihydroxy-4',5'-diiodo-5-isothiocyanato-
CAS Number(s)
  • 76391-89-4
InChIKey IMYGGUMSYXRHLN-UHFFFAOYSA-N
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