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Substance Name: Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (Z)-
RN: 60657-25-2
InChIKey: YDXRLMMGARHIIC-XLIONFOSSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H14-O2

Molecular Weight

  • 286.3286
 
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Names and Synonyms

Synonyms

  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-, cis-
  • CCRIS 2046
  • cis-7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene
  • cis-7,8-Dihydrobenzo(a)pyrene
  • cis-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene
  • cis-Benzo(a)pyrene-7,8-dihydrodiol

Systematic Names

  • Benzo(a)pyrene cis-7,8-dihydrodiol
  • Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (Z)-

Registry Numbers

CAS Registry Number

  • 60657-25-2

System Generated Number

  • 0060657252

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+/m1/s1

InChIKey

YDXRLMMGARHIIC-XLIONFOSSA-N

Smiles

c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C=C[C@H]([C@H]4O)O