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Substance Name: Benzo(a)pyrene-9,10-diol, 9,10-dihydro-1-nitro-, trans-
ID: DJ63103500
InChIKey: ZQOGZSOBQVRZRN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H13-N-O4

Molecular Weight

  • 331.3257
 
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Names and Synonyms

Synonyms

  • (E)-9,10-Dihydro-1-nitrobenzo(a)pyrene-9,10-diol
  • trans-9,10-Dihydroxy-9,10-dihydro-1-nitrobenzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene-9,10-diol, 9,10-dihydro-1-nitro-, trans-

Registry Numbers

ID Number

  • NIOSH/DJ6310350

System Generated Number

  • DJ63103500

Structure Descriptors

InChI

1S/C20H13NO4/c22-16-8-4-12-9-11-2-1-10-3-7-15(21(24)25)13-5-6-14(18(11)17(10)13)19(12)20(16)23/h1-9,16,20,22-23H

InChIKey

ZQOGZSOBQVRZRN-UHFFFAOYSA-N

Smiles

OC1C=Cc2cc3ccc4ccc(c5ccc(c2C1O)c3c45)[N+](=O)[O-]