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Substance Name: Acetamide, N-(5,9-dihydroxybenzo(a)pyren-4-yl)-
RN: 113668-48-7
InChIKey: SPMUYAMMBUFSDH-UHFFFAOYSA-N

Molecular Formula

  • C22-H15-N-O3

Molecular Weight

  • 341.365
 
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Names and Synonyms

Synonyms

  • 4-(N-Acetylamino)benzo(a)pyrene-5,9-hydroquinone
  • N-(5,9-Dihydroxybenzo(a)pyren-4-yl)acetamide

Systematic Name

  • Acetamide, N-(5,9-dihydroxybenzo(a)pyren-4-yl)-

Registry Numbers

CAS Registry Number

  • 113668-48-7

System Generated Number

  • 0113668487

Structure Descriptors

InChI

1S/C22H15NO3/c1-11(24)23-21-16-4-2-3-12-6-8-15-17-10-14(25)7-5-13(17)9-18(22(21)26)20(15)19(12)16/h2-10,25-26H,1H3,(H,23,24)

InChIKey

SPMUYAMMBUFSDH-UHFFFAOYSA-N

Smiles

C(C)(=O)Nc1c(c2cc3c(c4ccc5cccc1c5c24)cc(cc3)O)O