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Substance Name: Benz(a)anthracene, 8,9,10,11-tetrahydro-8-beta,9-alpha-dihydroxy-10-alpha,11-alpha-epoxy-, (E)-
RN: 64598-83-0
InChIKey: QMVDCUCAPJTHNE-XDNAFOTISA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 278.306
 
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Names and Synonyms

Synonyms

  • (+,-)trans-8beta,9alphaDihydroxy-10alpha,11alpha-epoxy-8,9,10,11-tetrahydrobenz(a)anthracene
  • anti-(+/-)-Benz(a)anthracene-8,9-diol-10,11-oxide
  • BA 8,9-Diol-10,11-epoxide l

Systematic Name

  • Benz(a)anthracene, 8,9,10,11-tetrahydro-8-beta,9-alpha-dihydroxy-10-alpha,11-alpha-epoxy-, (E)-

Registry Numbers

CAS Registry Number

  • 64598-83-0

System Generated Number

  • 0064598830

Structure Descriptors

InChI

1S/C18H14O3/c19-15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17-,18+/m1/s1

InChIKey

QMVDCUCAPJTHNE-XDNAFOTISA-N

Smiles

c12[C@@H]3[C@@H]([C@@H](O)[C@@H](c1cc1ccc4c(c1c2)cccc4)O)O3