Spiro[2,1-Benzoxathiole-3,9'-Xanthene]-3',4',5',6'-Tetrol 1,1-Dioxide

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Properties Simple | Detailed

Formula C19H12O8S
IUPAC Name 1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
Molecular Mass 400.359 g·mol−1
Heat of Formation -1012.6 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 397.67 Å 3
Surface Area 336.29 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,1-diketospiro[benzo[c]oxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
  • 1,1-dioxospiro[benzo[c][1,2]oxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
  • 1,1-dioxospiro[benzo[c]oxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
  • pyrogallol red
  • pyrogallol sulfonphthalein
  • pyrogallolsulfonephthalein
  • spiro(3h-2,1-benzoxathiole-3,9'-(9h)xanthene)-3',4',5',6'-tetrol, 1,1-dioxide
CAS Number(s)
  • 116239-00-0
  • 3172-49-4
InChIKey KUQNCHZOCSYKOR-UHFFFAOYSA-N
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