(1Ar,2R,3S,13Cs)-1A,2,3,13C-Tetrahydrobenzo[10,11]Tetrapheno[1,2-B]Oxirene-2,3-Diol

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Formula C22H16O3
IUPAC Name (1ar,2r,3s,13cs)-1a,2,3,13c-tetrahydrobenzo[10,11]tetrapheno[1,2-b]oxirene-2,3-diol
Molecular Mass 328.361 g·mol−1
Heat of Formation -90.2 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 369.58 Å 3
Surface Area 322.77 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-anti-dibenz(a,j)anthracene-3,4-diol-1,2-epoxide
  • db(a,j)a-diol-epoxide
  • db(aj)a-de
  • dibenz(a,j)anthracene trans-3,4-diol-anti-1,2-epoxide
  • dibenz(a,j)anthracene-3,4-diol-1,2-epoxide
  • naphtho(1',2':6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,13c-tetrahydro-, (1aalpha,2beta,3alpha,13calpha)-(+-)-
CAS Number(s)
  • 114326-34-0
  • 119181-08-7
  • 121209-33-4
InChIKey ICNAMIKDCKTULS-LNRXMEIDSA-N
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