(7R,8S,8Ar,9As)-7,8,8A,9A-Tetrahydrobenzo[5,6]Chryseno[3,4-B]Oxirene-7,8-Diol

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Formula C22H16O3
IUPAC Name (7r,8s,8ar,9as)-7,8,8a,9a-tetrahydrobenzo[5,6]chryseno[3,4-b]oxirene-7,8-diol
Molecular Mass 328.361 g·mol−1
Heat of Formation -100.1 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 367.01 Å 3
Surface Area 315.54 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-syn-benzo(g)chrysene-11,12-dihydrodiol-13,14-epoxide
  • benzo(5,6)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7r,8s,8ar,9as)-rel-
  • benzo(g)chrysene-11,12-dihydrodiol-13,14-epoxide
  • syn-benzo(a)chrysene-11,12-diol-13,14-epoxide
  • syn-r-11,t-12-dihydroxy-c-13,14-oxy-11,12,13,14-tetrahydrobenzo(g)chrysene
CAS Number(s)
  • 132832-27-0
  • 119479-44-6
InChIKey GZHHSQMUVHHNOY-CLAROIROSA-N
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