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Substance Name: Benzo(a)pyrene-7-methanol, hydrogen sulfate (ester), sodium salt
ID: DJ64200000
InChIKey: DQDSGDHILJIQMS-UHFFFAOYSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H13-O4-S.Na

Molecular Weight

  • 384.3857
 
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Names and Synonyms

Synonym

  • Sodium benzo(a)pyrene-7-methanol sulfate

Systematic Name

  • Benzo(a)pyrene-7-methanol, hydrogen sulfate (ester), sodium salt

Registry Numbers

ID Number

  • NIOSH/DJ6420000

System Generated Number

  • DJ64200000

Molecular Formulas

Molecular Formula

  • C19-H13-O4-S.Na

Molecular Formula Fragments

  • C19-H13-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H14O4S.Na/c22-26(23,24)25-12-16-5-2-6-17-18-10-9-14-4-1-3-13-7-8-15(11-19(16)17)21(18)20(13)14;/h1-11H,12H2,(H,22,23,24);/q;+1/p-1

InChIKey

DQDSGDHILJIQMS-UHFFFAOYSA-M

Smiles

[Na+].[O-]S(=O)(=O)OCc1cccc2c3ccc4cccc5ccc(cc12)c3c45