(1As,2S,3R,11Br)-1A,2,3,11B-Tetrahydrotetrapheno[10,11-B]Oxirene-2,3-Diol

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Properties Simple | Detailed

Formula C18H14O3
IUPAC Name (1as,2s,3r,11br)-1a,2,3,11b-tetrahydrotetrapheno[10,11-b]oxirene-2,3-diol
Molecular Mass 278.302 g·mol−1
Heat of Formation -185.0 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 311.9 Å 3
Surface Area 280.18 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (+,-)trans-8beta,9alphadihydroxy-10alpha,11alpha-epoxy-8,9,10,11-tetrahydrobenz(a)anthracene
  • 8,9-dihydroxy-10,11-epoxy-8,9,10,11-tetrahydrobenz(a)anthracene
  • anti-(+-)-benz(a)anthracene-trans-8,9-dihydrodiol-10,11-epoxide
  • anti-(+/-)-benz(a)anthracene-8,9-diol-10,11-oxide
  • ba 8,9-diol-10,11-epoxide l
  • ba-8,9-diol 10,11-oxide
  • benz(7,8)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aalpha,2beta,3alpha,11balpha)-
  • benz(7,8)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1ar,2r,3s,11bs)-rel-
  • benz(a)anthracene, 8,9,10,11-tetrahydro-8,9-dihydroxy-10,11-epoxy-, syn-
  • benz(a)anthracene, 8,9,10,11-tetrahydro-8-alpha,9-beta-dihydroxy-10-beta,11-beta-epoxy-
  • benz(a)anthracene, 8,9,10,11-tetrahydro-8-beta,9-alpha-dihydroxy-10-alpha,11-alp
  • benz(a)anthracene, 8,9,10,11-tetrahydro-8-beta,9-alpha-dihydroxy-10-alpha,11-alpha-epoxy-, (e)-
  • benz(a)anthracene-8,9-diol-10,11-epoxide
  • benz(a)anthracene-8,9-diol-10,11-epoxide, anti
  • r-8,t-9-dihydroxy-t-10,11-oxy-8,9,10,11-tetrahydrobenz(a)anthracene
  • syn-8,9,10,11-tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene
  • trans-8,9-dihydroxy-anti-10,11-epoxy-7,8,9,10-tetrahydrobenz(a)anthracene
CAS Number(s)
  • 64598-83-0
  • 63038-83-5
InChIKey QMVDCUCAPJTHNE-XDNAFOTISA-N
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