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Substance Name: Benzenesulfonic acid, 2-((1,3-dioxobutyl)amino)-5-methyl-, sodium salt (1:1)
RN: 125304-17-8
InChIKey: JPEKIAYDTIUXGP-UHFFFAOYSA-M

Classification Code

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

Molecular Formula

  • C11-H13-N-O5-S.Na

Molecular Weight

  • 293.2738
 
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Names and Synonyms

  • Benzenesulfonic acid, 2-((1,3-dioxobutyl)amino)-5-methyl-, monosodium salt
  • Benzenesulfonic acid, 2-((1,3-dioxobutyl)amino)-5-methyl-, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 125304-17-8

System Generated Number

  • 0125304178

Molecular Formulas

Molecular Formula

  • C11-H13-N-O5-S.Na

Molecular Formula Fragments

  • C11-H13-N-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H13NO5S.Na/c1-7-3-4-9(10(5-7)18(15,16)17)12-11(14)6-8(2)13;/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16,17);/q;+1/p-1

InChIKey

JPEKIAYDTIUXGP-UHFFFAOYSA-M

Smiles

S(=O)(=O)(c1c(NC(=O)CC(=O)C)ccc(c1)C)[O-].[Na+]