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Substance Name: Benzenesulfonic acid, 2,5-bis(benzoyloxy)-, sodium salt
RN: 55779-15-2
InChIKey: CPZZXJHHUOOIBT-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C20-H13-O7-S.Na
  • C20-H14-O7-S.Na

Molecular Weight

  • 420.3717
 
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Names and Synonyms

Synonym

  • 2,5-Bis(benzoyloxy)benzenesulfonic acid sodium salt

Systematic Name

  • Benzenesulfonic acid, 2,5-bis(benzoyloxy)-, sodium salt

Registry Numbers

CAS Registry Number

  • 55779-15-2

System Generated Number

  • 0055779152

Molecular Formulas

Molecular Formulas

  • C20-H13-O7-S.Na
  • C20-H14-O7-S.Na

Molecular Formula Fragments

  • C20-H13-O7-S
  • C20-H14-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H14O7S.Na/c21-19(14-7-3-1-4-8-14)26-16-11-12-17(18(13-16)28(23,24)25)27-20(22)15-9-5-2-6-10-15;/h1-13H,(H,23,24,25);/q;+1/p-1

InChIKey

CPZZXJHHUOOIBT-UHFFFAOYSA-M

Smiles

c1ccc(cc1)C(=O)Oc2ccc(c(c2)S(=O)(=O)[O-])OC(=O)c3ccccc3.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 6gm/kg (6000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.