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Substance Name: Dibenz(a,h)anthracene-3,4-diol 1,2-oxide
RN: 70951-81-4
InChIKey: LRZSCFUXPBRQLT-MBDNFAEBSA-N

Molecular Formula

  • C22-H16-O3

Molecular Weight

  • 328.3654
 
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Names and Synonyms

Name of Substance

  • Dibenz(a,h)anthracene-3,4-diol 1,2-oxide

Synonyms

  • (1aalpha,2beta,3alpha,13calpha)-1a,2,3,13c-tetrahydro-naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol
  • anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrodibenz(a,h)anthracene
  • anti-Dibenz(a,h)anthracene-3,4-dihydrodiol-1,2-oxide
  • DB(a,h)A-3,4-Diol 1,2-oxide
  • Dba 3,4-diol 1,2-oxide
  • DBADE
  • Dibenz(a,h)anthracene-3,4-diol-1,2-epoxide

Systematic Name

  • Naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,13c-tetrahydro-, (1aalpha,2beta,3alpha,13calpha)-

Registry Numbers

CAS Registry Number

  • 70951-81-4

System Generated Number

  • 0070951814

Structure Descriptors

InChI

1S/C22H16O3/c23-19-15-8-7-13-9-16-12(6-5-11-3-1-2-4-14(11)16)10-17(13)18(15)21-22(25-21)20(19)24/h1-10,19-24H/t19-,20+,21-,22+/m1/s1

InChIKey

LRZSCFUXPBRQLT-MBDNFAEBSA-N

Smiles

O[C@@H]1[C@@H]2O[C@@H]2c3c(ccc4cc5c(ccc6ccccc56)cc34)[C@H]1O