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Substance Name: Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,8-dinitro-
RN: 120812-52-4
InChIKey: BGRKSNLDCBTZRS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H14-N2-O4

Molecular Weight

  • 346.341
 
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Names and Synonyms

Synonyms

  • 1,8-Dinitro-H4-benzo(e)pyrene
  • 9,10,11,12-Tetrahydro-1,8-dinitrobenzo(e)pyrene
  • CCRIS 2866

Systematic Names

  • 1,8-Dinitro-9,10,11,12-tetrahydrobenzo(e)pyrene
  • Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,8-dinitro-

Registry Numbers

CAS Registry Number

  • 120812-52-4

System Generated Number

  • 0120812524

Structure Descriptors

InChI

1S/C20H14N2O4/c23-21(24)15-9-7-11-5-6-12-8-10-16(22(25)26)20-14-4-2-1-3-13(14)19(15)17(11)18(12)20/h5-10H,1-4H2

InChIKey

BGRKSNLDCBTZRS-UHFFFAOYSA-N

Smiles

c1cc(c2c3c(c4c(ccc5ccc1c2c45)[N+](=O)[O-])CCCC3)[N+](=O)[O-]