3',6'-Dihydroxy-5-[2-(1H-Imidazol-1-Yl)-2-Oxoethyl]-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Properties Simple | Detailed

Formula C25H16N2O6
IUPAC Name 6-[2-(4,5-dihydro-2h-imidazol-1-ium-2,4,5-triylium-1-yl)-2-oxo-ethyl]-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 440.404 g·mol−1
Heat of Formation 56.7 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 478.53 Å 3
Surface Area 410.09 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 3',6'-dihydroxy-6-(2-imidazol-1-yl-2-keto-ethyl)spiro[isobenzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-6-(2-imidazol-1-yl-2-oxo-ethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-6-(2-imidazol-1-yl-2-oxo-ethyl)spiro[isobenzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-6-(2-imidazol-1-yl-2-oxoethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-6-[2-(1-imidazolyl)-2-oxoethyl]-1-spiro[isobenzofuran-3,9'-xanthene]one
  • fluorescein n-acetylimidazole
  • fnai
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 3',6'-dihydroxy-5-(2-(1h-imidazol-1-yl)-2-oxoethyl)-
CAS Number(s)
  • 97068-28-5
InChIKey XPAGMQMUQHZWID-UHFFFAOYSA-N
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