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Substance Name: Benzo(a)pyrene-9,10-diol, 9,10-dihydro-1-nitro-, trans-
RN: 88598-60-1
InChIKey: ZQOGZSOBQVRZRN-OXJNMPFZSA-N

Molecular Formula

  • C20-H13-N-O4

Molecular Weight

  • 331.326
 
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Names and Synonyms

Synonyms

  • CCRIS 2164
  • trans-9,10-Dihydro-1-nitrobenzo(a)pyrene-9,10-diol

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 88598-60-1

System Generated Number

  • 0088598601

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/t16-,20+/m0/s1

InChIKey

ZQOGZSOBQVRZRN-OXJNMPFZSA-N

Smiles

C=1[C@@H]([C@H](c2c(cc3c4c5c(ccc(c5ccc24)[N+](=O)[O-])cc3)C1)O)O