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Substance Name: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-, cis-
RN: 51689-89-5
InChIKey: OYOQHRXJXXTZII-UXHICEINSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H14-O2

Molecular Weight

  • 286.329
 
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Names and Synonyms

Synonyms

  • CCRIS 787
  • cis-Benzo(a)pyrene-4,5-dihydrodiol

Systematic Names

  • Benzo(a)pyrene-4,5-diol, 4,5-dihydro-, cis-
  • cis-Benzo(a)pyrene-4,5-dihydrodiol

Registry Numbers

CAS Registry Number

  • 51689-89-5

System Generated Number

  • 0051689895

Structure Descriptors

InChI

1S/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20+/m1/s1

InChIKey

OYOQHRXJXXTZII-UXHICEINSA-N

Smiles

c12c3c4[C@@H](O)[C@H](c2cc2c(c1ccc3ccc4)cccc2)O