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Substance Name: Acetamide, N-acetyl-N-(9-hydroxybenzo(a)pyren-4-yl)-
RN: 113668-42-1
InChIKey: MYRVUMKHOBZOEU-UHFFFAOYSA-N

Molecular Formula

  • C24-H17-N-O3

Molecular Weight

  • 367.402
 
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Names and Synonyms

Synonyms

  • 9-Hydroxy-4-(N,N-diacetylamino)benzo(a)pyrene
  • N-Acetyl-N-(9-hydroxybenzo(a)pyren-4-yl)acetamide

Systematic Name

  • Acetamide, N-acetyl-N-(9-hydroxybenzo(a)pyren-4-yl)-

Registry Numbers

CAS Registry Number

  • 113668-42-1

System Generated Number

  • 0113668421

Structure Descriptors

InChI

1S/C24H17NO3/c1-13(26)25(14(2)27)22-11-17-10-16-6-8-18(28)12-21(16)19-9-7-15-4-3-5-20(22)23(15)24(17)19/h3-12,28H,1-2H3

InChIKey

MYRVUMKHOBZOEU-UHFFFAOYSA-N

Smiles

C(C)(=O)N(c1cc2cc3c(c4ccc5cccc1c5c24)cc(cc3)O)C(=O)C