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Substance Name: Benzo(a)pyrene, 7,8,9,10-tetrahydro-9-bromo-7,8,10-trihydroxy-
ID: DJ79550000
InChIKey: HHKCBBUWRNMMIZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H15-Br-O3

Molecular Weight

  • 383.2395
 
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Names and Synonyms

Synonym

  • 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene, 7,8,9,10-tetrahydro-9-bromo-7,8,10-trihydroxy-

Registry Numbers

ID Number

  • NIOSH/DJ7955000

System Generated Number

  • DJ79550000

Structure Descriptors

InChI

1S/C20H15BrO3/c21-17-19(23)16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)18(22)20(17)24/h1-8,17-20,22-24H

InChIKey

HHKCBBUWRNMMIZ-UHFFFAOYSA-N

Smiles

OC1C(Br)C(O)c2c(cc3ccc4cccc5ccc2c3c45)C1O