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Substance Name: Benzo(e)pyrene-4,5-diol, 3-nitro-, diacetate (ester)
RN: 134998-78-0
InChIKey: SLWANLQVLHQJPM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C24-H15-N-O6

Molecular Weight

  • 413.384
 
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Names and Synonyms

Synonyms

  • 3-Nitrobenzo(e)pyrene-4,5-diol diacetate (ester)
  • CCRIS 8061

Systematic Names

  • 3-Nitrobenzo(e)pyrene cis-4,5-diacetate
  • Benzo(e)pyrene-4,5-diol, 3-nitro-, diacetate (ester)

Registry Numbers

CAS Registry Number

  • 134998-78-0

System Generated Number

  • 0134998780

Structure Descriptors

InChI

1S/C24H15NO6/c1-12(26)30-23-18-9-5-8-16-14-6-3-4-7-15(14)17-10-11-19(25(28)29)22(21(17)20(16)18)24(23)31-13(2)27/h3-11H,1-2H3

InChIKey

SLWANLQVLHQJPM-UHFFFAOYSA-N

Smiles

c1(ccc2c3c(c4cccc5c(c(c1c2c45)OC(C)=O)OC(C)=O)cccc3)[N+](=O)[O-]