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Substance Name: Benzo(a)pyrene-3,9-diol, 6-nitro-
RN: 82039-12-1
InChIKey: YEYACLPZUBFKPN-UHFFFAOYSA-N

Molecular Formula

  • C20-H11-N-O4

Molecular Weight

  • 329.31
 
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Names and Synonyms

  • Benzo(a)pyrene-3,9-diol, 6-nitro-

Registry Numbers

CAS Registry Number

  • 82039-12-1

System Generated Number

  • 0082039121

Structure Descriptors

InChI

1S/C20H11NO4/c22-11-3-5-13-16(9-11)12-4-1-10-2-8-17(23)14-6-7-15(19(12)18(10)14)20(13)21(24)25/h1-9,22-23H

InChIKey

YEYACLPZUBFKPN-UHFFFAOYSA-N

Smiles

c12c(c(c3ccc4c(ccc5ccc1c3c45)O)[N+](=O)[O-])ccc(c2)O