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Substance Name: Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-
RN: 213399-21-4
InChIKey: REWGAEVNGHXFBN-NMLBUPMWSA-N

Molecular Formula

  • C20-H15-Cl-O3

Molecular Weight

  • 338.789
 
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Names and Synonyms

  • Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-

Registry Numbers

CAS Registry Number

  • 213399-21-4

System Generated Number

  • 0213399214

Structure Descriptors

InChI

1S/C20H15ClO3/c21-17-16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)18(22)20(24)19(17)23/h1-8,17-20,22-24H/t17-,18+,19+,20-/m0/s1

InChIKey

REWGAEVNGHXFBN-NMLBUPMWSA-N

Smiles

c12c(cc3ccc4cccc5ccc1c3c45)[C@H]([C@@H]([C@@H]([C@H]2Cl)O)O)O