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Substance Name: Benzo(a)pyrene mixed with ferric oxide (1:1)
ID: DJ63802000
InChIKey: JJIZPYYLPVNQSW-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C20-H12.Fe2-O3

Molecular Weight

  • 412.0018
 
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Names and Synonyms

Synonyms

  • 3,4-Benzopyrene mixed with ferric oxide (1:1)
  • 3,4-Benzopyrene mixed with hematite (1:1)
  • Benzo(a)pyrene mixed with hematite (1:1)
  • Ferric oxide mixed with 3,4-benzopyrene (1:1)
  • Ferric oxide mixed with benzo(a)pyrene (1:1)
  • Hematite mixed with 3,4-benzopyrene (1:1)
  • Hematite mixed with benzo(a)pyrene (1:1)

Systematic Name

  • Benzo(a)pyrene mixed with ferric oxide (1:1)

Registry Numbers

ID Number

  • NIOSH/DJ6380200

System Generated Number

  • DJ63802000

Molecular Formulas

Molecular Formula

  • C20-H12.Fe2-O3

Molecular Formula Fragments

  • C20-H12
  • COMPONENT
  • Fe2-O3

Structure Descriptors

InChI

1S/C20H12.2Fe.3O/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14;;;;;/h1-12H;;;;;/q;2*+3;3*-2

InChIKey

JJIZPYYLPVNQSW-UHFFFAOYSA-N

Smiles

[O-2].[O-2].[O-2].[Fe+3].[Fe+3].c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45