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Substance Name: Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-
RN: 120812-51-3
InChIKey: QRIUZXYUEZGXBP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H14-N2-O4

Molecular Weight

  • 346.341
 
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Names and Synonyms

Synonyms

  • 1,6-Dinitro-H4-benzo(e)pyrene
  • 9,10,11,12-Tetrahydro-1,6-dinitrobenzo(e)pyrene
  • CCRIS 2865

Systematic Names

  • 1,6-Dinitro-9,10,11,12-tetrahydrobenzo(e)pyrene
  • Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-

Registry Numbers

CAS Registry Number

  • 120812-51-3

System Generated Number

  • 0120812513

Structure Descriptors

InChI

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

InChIKey

QRIUZXYUEZGXBP-UHFFFAOYSA-N

Smiles

c1cc(c2c3c(c4ccc(c5ccc1c2c45)[N+](=O)[O-])CCCC3)[N+](=O)[O-]