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Substance Name: Acetic acid, 2-mercapto-, reaction products with 1,4-benzenediol and 1,2-dihydro-1-phenyl-3H-pyrazol-3-one
RN: 75864-22-1
InChIKey: CINJGRWNPWIONH-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C9-H8-N2-O.C6-H6-O2.C2-H4-O2-S

Molecular Weight

  • 362.4042
 
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Names and Synonyms

Synonym

  • 1,4-Benzenediol, reaction products with mercaptoacetic acid and 1-phenyl-3-pyrazolidinone

Systematic Names

  • Acetic acid, 2-mercapto-, reaction products with 1,4-benzenediol and 1,2-dihydro-1-phenyl-3H-pyrazol-3-one
  • Acetic acid, mercapto-, reaction products with 1,4-benzenediol and 1,2-dihydro-1-phenyl-3H-pyrazol-3-one

Registry Numbers

CAS Registry Number

  • 75864-22-1

System Generated Number

  • 0075864221

Molecular Formulas

Molecular Formula

  • C9-H8-N2-O.C6-H6-O2.C2-H4-O2-S

Molecular Formula Fragments

  • C2-H4-O2-S
  • C6-H6-O2
  • C9-H8-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C9H8N2O.C6H6O2.C2H4O2S/c12-9-6-7-11(10-9)8-4-2-1-3-5-8;7-5-1-2-6(8)4-3-5;3-2(4)1-5/h1-7H,(H,10,12);1-4,7-8H;5H,1H2,(H,3,4)

InChIKey

CINJGRWNPWIONH-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2ccc(=O)[nH]2.c1cc(ccc1O)O.C(C(=O)O)S