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Substance Name: Benzo(a)pyrene, 1,4-dimethyl-
RN: 16757-88-3
InChIKey: COUWIODFWWMEFK-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C22-H16

Molecular Weight

  • 280.368
 
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Names and Synonyms

Synonyms

  • 1,4-Dimethylbenzo(a)pyrene
  • 4-05-00-02702 (Beilstein Handbook Reference)
  • BRN 3303910

Systematic Name

  • Benzo(a)pyrene, 1,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 16757-88-3

System Generated Number

  • 0016757883

Structure Descriptors

InChI

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

InChIKey

COUWIODFWWMEFK-UHFFFAOYSA-N

Smiles

c12c3c4c(C)cc2cc2c(c1ccc3c(C)cc4)cccc2