(±)-Benzo[a]pyrene-r-7,t-8-dihydrodiol-c-9,10-epoxide

CAS Registry Number®

58917-91-2

CAS Name

(±)-Benzo[a]pyrene-r-7,t-8-dihydrodiol-c-9,10-epoxide

Molecular Formula

C20H14O3

Molecular Mass

302.32

Cite this Page

(±)-Benzo[a]pyrene-r-7,t-8-dihydrodiol-c-9,10-epoxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58917-91-2 (retrieved 2024-11-25) (CAS RN: 58917-91-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19+,20-/s2

InChIKey

InChIKey=DQEPMTIXHXSFOR-ZLQKJMDYNA-N

SMILES

O[C@H]1C2=C(C3=C4C=5C(C=C3)=CC=CC5C=CC4=C2)[C@@]6([C@@](O6)([C@@H]1O)[H])[H]

Canonical SMILES

OC1C=2C=C3C=CC4=CC=CC=5C=CC(=C3C45)C2C6OC6C1O

Other Names for this Substance

  • Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7R,8S,8aR,9aS)-rel-
  • Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7α,8β,8aβ,9aβ)-(±)-
  • rel-(7R,8S,8aR,9aS)-7,8,8a,9a-Tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol
  • (±)-7β,8α-Dihydroxy-9β,10β-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene
  • (±)-7α,8β-Dihydroxy-9α,10α-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene

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Deleted or Replaced CAS Registry Numbers

60268-86-2

CAS INSIGHTSTM
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