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Substance Name: Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, ammonium salt (1:1)
RN: 72705-22-7
InChIKey: ZPDRZMNAFLBUOA-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C12-H15-N-O6-S.H3-N

Molecular Weight

  • 318.348
 
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Names and Synonyms

Synonyms

  • EC 276-769-3
  • EINECS 276-769-3

Systematic Names

  • Ammonium 4-acetoacetylamino-5-methoxy-2-methylbenzenesulphonate
  • Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, ammonium salt (1:1)
  • Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, monoammonium salt

Registry Numbers

CAS Registry Number

  • 72705-22-7

System Generated Number

  • 0072705227

Molecular Formulas

Molecular Formula

  • C12-H15-N-O6-S.H3-N

Molecular Formula Fragments

  • C12-H15-N-O6-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C12H15NO6S.H3N/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);1H3

InChIKey

ZPDRZMNAFLBUOA-UHFFFAOYSA-N

Smiles

[NH4+].c1(c(cc(c(c1)OC)NC(CC(C)=O)=O)C)S(=O)(=O)[O-]