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Substance Name: Benzo(a)pyrene-9,10-diol-7,8-epoxide
RN: 57525-54-9
InChIKey: KDDZECPCXARXNN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H14-O3

Molecular Weight

  • 302.328
 
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Names and Synonyms

Results Name

  • Benzo(a)pyrene-9,10-diol-7,8-epoxide

Synonyms

  • 9,10-Dihydro-9,10-dihydroxybenzo(a)pyrene 7,8-oxide
  • Benzo(a)pyrene-9,10-diol-7,8-epoxide
  • CCRIS 797

Systematic Names

  • Benzo(10,11)chryseno(1,2-b)oxirene-8,9-diol, 6b,7a,8,9-tetrahydro-
  • Benzo(a)pyrene-9,10-dihydrodiol-7,8-epoxide

Registry Numbers

CAS Registry Number

  • 57525-54-9

System Generated Number

  • 0057525549

Structure Descriptors

InChI

1S/C20H14O3/c21-17-16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)19-20(23-19)18(17)22/h1-8,16-18,20-22H

InChIKey

KDDZECPCXARXNN-UHFFFAOYSA-N

Smiles

C1=2[C@@H](c3ccc4cccc5ccc(=C1)c3c45)[C@@H]([C@@H]([C@@H]1C2O1)O)O