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Substance Name: Benzo(a)pyrene-4,4,5(5H)-triol
RN: 64414-72-8
InChIKey: QQSSXIQIYSGXLD-UHFFFAOYSA-N

Molecular Weight

  • 302.328
 
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Names and Synonyms

  • Benzo(a)pyrene-4,4,5(5H)-triol

Registry Numbers

CAS Registry Number

  • 64414-72-8

System Generated Number

  • 0064414728

Structure Descriptors

InChI

1S/C20H14O3/c21-19-15-10-12-4-1-2-6-13(12)14-9-8-11-5-3-7-16(20(19,22)23)17(11)18(14)15/h1-10,19,21-23H

InChIKey

QQSSXIQIYSGXLD-UHFFFAOYSA-N

Smiles

c12c(cc3[C@@H](C(c4cccc5ccc1c3c45)(O)O)O)cccc2