Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzo(a)pyrene, compd. with 2,4,6-trinitrophenol (1:1) (9CI)
RN: 5929-01-1
InChIKey: QDOWKRRPTWSHRT-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C20-H12.C6-H3-N3-O7

Molecular Weight

  • 481.418
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1:2-Benzpyrene picrate
  • 3,4-Benzpyrene picrate

Systematic Names

  • Benzo(a)pyrene, compd. with 2,4,6-trinitrophenol (1:1) (9CI)
  • Benzo(a)pyrene, monopicrate

Registry Numbers

CAS Registry Number

  • 5929-01-1

System Generated Number

  • 0005929011

Molecular Formulas

Molecular Formula

  • C20-H12.C6-H3-N3-O7

Molecular Formula Fragments

  • C20-H12
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H12.C6H3N3O7/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-12H;1-2,10H

InChIKey

QDOWKRRPTWSHRT-UHFFFAOYSA-N

Smiles

c12c3c4ccccc4cc1ccc1c2c(cc3)ccc1.c1c(cc(c(c1[N+]([O-])=O)O)[N+]([O-])=O)[N+]([O-])=O