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Substance Name: 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-
RN: 125628-92-4
InChIKey: LRINMBOHZZPHOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-N-O6-S

Molecular Weight

  • 233.1993
 
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Names and Synonyms

Synonym

  • 5-(Methylsulfonyl)-3-nitro-1,2-benzenediol

Systematic Names

  • 1,2-Benzenedid, 5-(methylsulfonyl)-3-nitro-
  • 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-

Registry Numbers

CAS Registry Number

  • 125628-92-4

System Generated Number

  • 0125628924

Structure Descriptors

InChI

1S/C7H7NO6S/c1-15(13,14)4-2-5(8(11)12)7(10)6(9)3-4/h2-3,9-10H,1H3

InChIKey

LRINMBOHZZPHOG-UHFFFAOYSA-N

Smiles

CS(=O)(=O)c1cc(c(c(c1)O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.