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Substance Name: Benzo(a)pyrene, 3-hydroxy-, sulfate
RN: 61996-71-2
InChIKey: UDBRORAOPVVTME-UHFFFAOYSA-N

Molecular Formula

  • C20-H12-O4-S

Molecular Weight

  • 348.377
 
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Names and Synonyms

Synonyms

  • 3-Hydroxybenzo(a)pyrene sulfate
  • Benzo(a)pyrenyl-3-sulfate
  • CCRIS 4076

Systematic Names

  • Benzo(a)pyrene, 3-hydroxy-, sulfate
  • Benzo(a)pyrene-3-sulfate

Registry Numbers

CAS Registry Number

  • 61996-71-2

System Generated Number

  • 0061996712

Structure Descriptors

InChI

1S/C20H12O4S/c21-25(22,23)24-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H,(H,21,22,23)

InChIKey

UDBRORAOPVVTME-UHFFFAOYSA-N

Smiles

c12c(cc3ccc4c(ccc5ccc1c3c45)OS(=O)(=O)O)cccc2