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Substance Name: Benzo(a)pyrene-7-beta,8-alpha-diol, 7,8-dihydro-
ID: DJ63070000
InChIKey: YDXRLMMGARHIIC-PXNSSMCTSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H14-O2

Molecular Weight

  • 286.3286
 
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Names and Synonyms

Synonyms

  • 7,8-Dihydrobenzo(a)pyrene-7-beta,8-alpha-diol
  • 7-beta,8-alpha-Hydroxy-7,8-dihydrobenzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene-7-beta,8-alpha-diol, 7,8-dihydro-

Registry Numbers

ID Number

  • NIOSH/DJ6307000

System Generated Number

  • DJ63070000

Structure Descriptors

InChI

1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m0/s1

InChIKey

YDXRLMMGARHIIC-PXNSSMCTSA-N

Smiles

O[C@H]1C=Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H]1O