Benzo[a]pyrene-cis-4,5-dihydrodiol

CAS Registry Number®

51689-89-5
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CAS Name

Benzo[a]pyrene-cis-4,5-dihydrodiol

Molecular Formula

C20H14O2

Molecular Mass

286.32

Cite this Page

Benzo[a]pyrene-cis-4,5-dihydrodiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51689-89-5 (retrieved 2024-05-16) (CAS RN: 51689-89-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/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+/s2

InChIKey

InChIKey=OYOQHRXJXXTZII-MYKRFBFLNA-N

SMILES

O[C@H]1C=2C3=C4C([C@H]1O)=CC=CC4=CC=C3C=5C(C2)=CC=CC5

Canonical SMILES

OC1C=2C=CC=C3C=CC=4C=5C=CC=CC5C=C(C4C32)C1O

Other Names for this Substance

  • Benzo[a]pyrene-4,5-diol, 4,5-dihydro-, (4R,5S)-rel-
  • Benzo[a]pyrene-4,5-diol, 4,5-dihydro-, cis-(±)-
  • rel-(4R,5S)-4,5-Dihydrobenzo[a]pyrene-4,5-diol
  • cis-4,5-Dihydro-4,5-dihydroxybenzo[a]pyrene
  • cis-4,5-Dihydrobenzo[a]pyrene-4,5-diol

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Deleted or Replaced CAS Registry Numbers

72040-28-9

CAS INSIGHTSTM
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