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Substance Name: Benzo(a)pyrene-10-sulfonic acid, 7,8,9,10-tetrahydro-7,8,9-trihydroxy-, (7alpha,8beta,9beta,10alpha)-, (+-)-
RN: 124443-16-9
InChIKey: GTWWVQRQJNLCLW-FYQPLNBISA-N

Molecular Formula

  • C20-H16-O6-S

Molecular Weight

  • 384.406
 
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Names and Synonyms

Synonyms

  • (7alpha,8beta,9beta,10alpha)-7,8,9,10-Tetrahydro-7,8,9-trihydroxybenzo(a)pyrene-10-sulfonic acid
  • 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate

Systematic Name

  • Benzo(a)pyrene-10-sulfonic acid, 7,8,9,10-tetrahydro-7,8,9-trihydroxy-, (7alpha,8beta,9beta,10alpha)-, (+-)-

Registry Numbers

CAS Registry Number

  • 124443-16-9

System Generated Number

  • 0124443169

Structure Descriptors

InChI

1S/C20H16O6S/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)20(27(24,25)26)19(23)18(17)22/h1-8,17-23H,(H,24,25,26)/t17-,18+,19+,20+/m1/s1

InChIKey

GTWWVQRQJNLCLW-FYQPLNBISA-N

Smiles

c12c(cc3ccc4cccc5ccc1c3c45)[C@H]([C@@H]([C@@H]([C@H]2S(=O)(=O)O)O)O)O