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Substance Name: Benzenesulfonic acid, 5-(benzoyloxy)-2-hydroxy-, monosodium salt
RN: 59687-31-9
InChIKey: BQLBYANEALLMQS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-O6-S.Na

Molecular Weight

  • 316.2641
 
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Names and Synonyms

Synonym

  • 5-(Benzoyloxy)-2-hydroxybenzenesulfonic acid sodium salt

Systematic Name

  • Benzenesulfonic acid, 5-(benzoyloxy)-2-hydroxy-, monosodium salt

Registry Numbers

CAS Registry Number

  • 59687-31-9

System Generated Number

  • 0059687319

Molecular Formulas

Molecular Formula

  • C13-H9-O6-S.Na

Molecular Formula Fragments

  • C13-H9-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H10O6S.Na/c14-11-7-6-10(8-12(11)20(16,17)18)19-13(15)9-4-2-1-3-5-9;/h1-8,14H,(H,16,17,18);/q;+1/p-1

InChIKey

BQLBYANEALLMQS-UHFFFAOYSA-M

Smiles

c1ccc(cc1)C(=O)Oc2ccc(c(c2)S(=O)(=O)[O-])O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.