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Substance Name: 3,6-Dinitrobenzopyrene
RN: 128714-76-1
UNII: 0F54JZ113B
InChIKey: FZBOFNLBBMIJMT-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H10-N2-O4

Molecular Weight

  • 342.309
 
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Names and Synonyms

Name of Substance

  • 3,6-Dinitrobenzopyrene

Synonyms

  • 3,6-Dinitrobenzo(a)pyrene
  • BRN 4330648
  • CCRIS 4102
  • UNII-0F54JZ113B

Systematic Names

  • 3,6-Dinitrobenzo(a)pyrene
  • Benzo(a)pyrene, 3,6-dinitro-

Registry Numbers

CAS Registry Number

  • 128714-76-1

FDA UNII

  • 0F54JZ113B

System Generated Number

  • 0128714761

Structure Descriptors

InChI

1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22(25)26)16-9-8-15(17)18(11)19(13)16/h1-10H

InChIKey

FZBOFNLBBMIJMT-UHFFFAOYSA-N

Smiles

[O-][N+](=O)c1ccc2ccc3c4ccccc4c(c5ccc1c2c35)[N+](=O)[O-]