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Substance Name: Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn
RN: 66212-60-0
InChIKey: VAHKPYXMVVSHGS-FUMNGEBKSA-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, syn

Synonyms

  • 9-beta,10-alpha-Dihydroxy-7-alpha,8-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn

Systematic Name

  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-9-beta,10-alpha-dihydroxy-7-alpha,8-alpha-epoxy-

Registry Numbers

CAS Registry Number

  • 66212-60-0

System Generated Number

  • 0066212600

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/h1-8,17-22H/t17-,18+,19+,20-/m1/s1

InChIKey

VAHKPYXMVVSHGS-FUMNGEBKSA-N

Smiles

c12c3c4c([C@H]5[C@H]([C@H]([C@@H]4O)O)O5)cc2ccc2c1c(ccc2)cc3