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Substance Name: Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (E)-
RN: 57404-88-3
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

  • (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol
  • Benzo(a)pyrene-7,8-dihydrodiol, (E)-
  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-, trans-
  • Benzo(a)pyrene-trans-7,8-dihydrodiol
  • Benzo(a)pyrene-trans-7,8-diol
  • CCRIS 788
  • trans-7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene
  • trans-7,8-Dihydrobenzo(a)pyrene-7,8-diol
  • trans-7,8-Dihydroxy-7,8-dihydro-benzo(a)pyrene

Systematic Names

  • Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (E)-
  • trans-Benzo(a)pyrene-7,8-dihydrodiol

Registry Numbers

CAS Registry Number

  • 57404-88-3

System Generated Number

  • 0057404883

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

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