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Substance Name: Benzo(a)pyrene, 1,3-dimethyl-
RN: 16757-86-1
InChIKey: YLBZZUDADDVEFK-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C22-H16

Molecular Weight

  • 280.368
 
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Names and Synonyms

Synonyms

  • 1,3-Dimethylbenzo(a)pyrene
  • 4-05-00-02702 (Beilstein Handbook Reference)
  • BRN 2272898

Systematic Name

  • Benzo(a)pyrene, 1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 16757-86-1

System Generated Number

  • 0016757861

Structure Descriptors

InChI

1S/C22H16/c1-13-11-14(2)18-9-10-20-19-6-4-3-5-15(19)12-16-7-8-17(13)22(18)21(16)20/h3-12H,1-2H3

InChIKey

YLBZZUDADDVEFK-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(cccc1)cc2ccc3c(C)cc4C