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Substance Name: Benzo(a)pyren-3-ol, 6-nitro-, acetate (ester)
RN: 110682-10-5
InChIKey: SSTFCCGOUPODSP-UHFFFAOYSA-N

Molecular Formula

  • C22-H13-N-O4

Molecular Weight

  • 355.348
 
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Names and Synonyms

Synonym

  • 6-Nitrobenzo(a)pyren-3-ol acetate (ester)

Systematic Name

  • Benzo(a)pyren-3-ol, 6-nitro-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 110682-10-5

System Generated Number

  • 0110682105

Structure Descriptors

InChI

1S/C22H13NO4/c1-12(24)27-19-11-7-13-6-8-15-14-4-2-3-5-16(14)22(23(25)26)18-10-9-17(19)20(13)21(15)18/h2-11H,1H3

InChIKey

SSTFCCGOUPODSP-UHFFFAOYSA-N

Smiles

C(C)(=O)Oc1c2ccc3c(c4c(c5ccc(cc1)c2c35)cccc4)[N+](=O)[O-]