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Substance Name: Pentachlorophenylmercapturic acid
RN: 68593-98-6
UNII: 6OK25K629M
InChIKey: CXDOSRKBOPYXSZ-BYPYZUCNSA-N

Molecular Formula

  • C11-H8-Cl5-N-O3-S

Molecular Weight

  • 411.519
 
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Names and Synonyms

Name of Substance

  • Pentachlorophenylmercapturic acid

Synonyms

  • N-Acetyl-S-(pentachlorophenyl)-L-cysteine
  • N-Acetyl-S-(pentachlorophenyl)cysteine
  • UNII-6OK25K629M

Systematic Name

  • L-Cysteine, N-acetyl-S-(pentachlorophenyl)-

Registry Numbers

CAS Registry Number

  • 68593-98-6

FDA UNII

  • 6OK25K629M

System Generated Number

  • 0068593986

Structure Descriptors

InChI

1S/C11H8Cl5NO3S/c1-3(18)17-4(11(19)20)2-21-10-8(15)6(13)5(12)7(14)9(10)16/h4H,2H2,1H3,(H,17,18)(H,19,20)/t4-/m0/s1

InChIKey

CXDOSRKBOPYXSZ-BYPYZUCNSA-N

Smiles

C([C@@H](NC(=O)C)CSc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(=O)O