Ethyl 2-(2,4,5,7-Tetrabromo-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoate

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Properties Simple | Detailed

Formula C22H20Br4O5
IUPAC Name ethyl 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-1h-xanthene-1,2,3,4,4a,8a,9,9a-octaid-9-yl)benzoate
Molecular Mass 684.007 g·mol−1
Heat of Formation -388.4 ± 16.7 kJ·mol−1
Dipole Moment 8.55 ± 1.08 D
Volume 532.02 Å 3
Surface Area 420.87 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,4,5,7-tetrabromo-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid ethyl ester
  • 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid ethyl ester
  • 6359-05-3 (potassium salt)
  • benzoic acid, 2- (2,4,5, 7-tetrabromo-6-hydroxy-3-oxo-3h-xanthen-9-yl)-, ethyl ester
  • c.i. 45386 (*potassium salt)
  • ethyl 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate
  • fluorescein, 2',4',5',7'-tetrabromo-, ethyl ester
  • spirit primrose dh (*potassium salt)
InChIKey SQLYYENAJNILOX-UHFFFAOYSA-N
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Elements H C O Br