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Substance Name: Benzo(a)pyrene, 1,3,6-trimethyl-
RN: 16757-92-9
InChIKey: BZBLXOWOIQZQPM-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C23-H18

Molecular Weight

  • 294.395
 
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Names and Synonyms

Synonyms

  • 1,3,6-Trimethylbenzo(a)pyrene
  • 4-05-00-02708 (Beilstein Handbook Reference)
  • BRN 3326829

Systematic Name

  • Benzo(a)pyrene, 1,3,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 16757-92-9

System Generated Number

  • 0016757929

Structure Descriptors

InChI

1S/C23H18/c1-13-12-14(2)17-9-11-21-20-7-5-4-6-18(20)15(3)19-10-8-16(13)22(17)23(19)21/h4-12H,1-3H3

InChIKey

BZBLXOWOIQZQPM-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(cccc1)c(c2ccc3c(C)cc4C)C