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

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Formula C20H16Cl4O7
IUPAC Name 2,3,4,5-tetrachloro-6-(3,4,5-trihydroxy-6-oxo-1,2-dihydroxanthene-1,2,3,4,4a,8a,9,9a-octaid-9-yl)benzoic acid
Molecular Mass 510.149 g·mol−1
Heat of Formation -894.4 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 471.67 Å 3
Surface Area 382.67 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4,5-tetrachloro-6-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)benzoic acid
  • 2,3,4,5-tetrachloro-6-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)benzoic acid
  • 2,3,4,5-tetrachloro-6-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzoic acid
  • benzoic acid, 2,3,4,5-tetrachloro-6-(4,5,6-trihydroxy-3-oxo-3h-xanthen-9-yl)-
InChIKey BCMXMLPZPYKPMA-UHFFFAOYSA-N
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Elements H C O Cl