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Substance Name: Benzo(a)pyrene, 4,5-dimethyl-
RN: 16757-89-4
InChIKey: KWYWGXYFWOWWTF-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C22-H16

Molecular Weight

  • 280.368
 
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Names and Synonyms

Synonyms

  • 4,5-Dimethylbenzo(a)pyrene
  • 4-05-00-02704 (Beilstein Handbook Reference)
  • BRN 2272749

Systematic Name

  • Benzo(a)pyrene, 4,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 16757-89-4

System Generated Number

  • 0016757894

Structure Descriptors

InChI

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

InChIKey

KWYWGXYFWOWWTF-UHFFFAOYSA-N

Smiles

c12c3c4c(C)c(c2cc2c(c1ccc3ccc4)cccc2)C