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Substance Name: 9-Hydroxybenzo(a)pyrene-4,5-epoxide
RN: 61133-85-5
InChIKey: QMJJLPWCBGOGAF-UHFFFAOYSA-N

Molecular Formula

  • C20-H12-O2

Molecular Weight

  • 284.313
 
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Names and Synonyms

Name of Substance

  • 9-Hydroxybenzo(a)pyrene-4,5-epoxide

Synonyms

  • 9-Hydroxybenzo(a)pyrene-4,5-oxide
  • 9-OH-Bap-4,5-oxide

Systematic Names

  • 3b,4a-Dihydrobenzo(1,2)pyreno(4,5-b)oxiren-8-ol
  • Benzo(1,2)pyreno(4,5-b)oxiren-8-ol, 3b,4a-dihydro-
  • Benzo(1,2)pyreno(4,5-b)oxiren-8-ol, 3b,4a-dihydro-, stereoisomer

Registry Numbers

CAS Registry Number

  • 61133-85-5

System Generated Number

  • 0061133855

Structure Descriptors

InChI

1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H

InChIKey

QMJJLPWCBGOGAF-UHFFFAOYSA-N

Smiles

c1(cc2c(cc1)cc1c3c2ccc2c3c(ccc2)[C@@H]2[C@@H]1O2)O