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Substance Name: Dibenz(a,j)anthracene-3,4-diol-1,2-epoxide
RN: 119181-08-7
InChIKey: ICNAMIKDCKTULS-LNRXMEIDSA-N

Molecular Formula

  • C22-H16-O3

Molecular Weight

  • 328.3654
 
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Names and Synonyms

Name of Substance

  • Dibenz(a,j)anthracene-3,4-diol-1,2-epoxide

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

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 119181-08-7

Other Registry Number

  • 114326-34-0

System Generated Number

  • 0119181087

Structure Descriptors

InChI

1S/C22H16O3/c23-19-15-8-7-13-9-12-6-5-11-3-1-2-4-14(11)16(12)10-17(13)18(15)21-22(25-21)20(19)24/h1-10,19-24H/t19-,20+,21-,22+/m0/s1

InChIKey

ICNAMIKDCKTULS-LNRXMEIDSA-N

Smiles

O[C@H]1[C@H]2O[C@H]2c3c(ccc4cc5ccc6ccccc6c5cc34)[C@@H]1O