5,10-Dihydroxyanthra[9,1,2-Cde]Benzo[Rst]Pentaphene-15,16-Dione

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Properties Simple | Detailed

Formula C34H16O4
IUPAC Name 5,10-dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-15,16-dione
Molecular Mass 488.488 g·mol−1
Heat of Formation -37.8 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 511.17 Å 3
Surface Area 428.77 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 5,10-violanthrenedione, 16,17-dihydroxy-
  • anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, dihydroxy-
  • dihydroxy-5,10-violanthrenedione
  • dihydroxydinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione
  • dihydroxyviolanthrene-5,10-dione
  • dihydroxyviolanthrone
  • oxybenzone (dye)
CAS Number(s)
  • 26545-62-0
InChIKey HKKLVMURVKXUTR-UHFFFAOYSA-N
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