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Substance Name: Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-
RN: 120812-50-2
InChIKey: SQVATHOPVKLFQL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H14-N2-O4

Molecular Weight

  • 346.341
 
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Names and Synonyms

Synonyms

  • 1,3-Dinitro-H4-benzo(e)pyrene
  • 9,10,11,12-Tetrahydro-1,3-dinitrobenzo(e)pyrene
  • CCRIS 2864

Systematic Names

  • 1,3-Dinitro-9,10,11,12-tetrahydrobenzo(e)pyrene
  • Benzo(e)pyrene, 9,10,11,12-tetrahydro-1,3-dinitro-

Registry Numbers

CAS Registry Number

  • 120812-50-2

System Generated Number

  • 0120812502

Structure Descriptors

InChI

1S/C20H14N2O4/c23-21(24)16-10-17(22(25)26)19-14-6-2-1-5-12(14)13-7-3-4-11-8-9-15(16)20(19)18(11)13/h3-4,7-10H,1-2,5-6H2

InChIKey

SQVATHOPVKLFQL-UHFFFAOYSA-N

Smiles

c1(cc(c2c3c(c4cccc5ccc1c2c45)CCCC3)[N+](=O)[O-])[N+](=O)[O-]