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Substance Name: 1,3,6-Cycloheptatriene-1-sulfonic acid, 4-hydroxy-5-oxo-, monoammonium salt
RN: 56968-76-4
InChIKey: MAAVRKRPVOQSCB-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-O5-S.H4-N

Molecular Weight

  • 219.216
 
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Names and Synonyms

Synonym

  • Ammonium tropolone-5-sulfonate

Systematic Name

  • 1,3,6-Cycloheptatriene-1-sulfonic acid, 4-hydroxy-5-oxo-, monoammonium salt

Registry Numbers

CAS Registry Number

  • 56968-76-4

System Generated Number

  • 0056968764

Molecular Formulas

Molecular Formula

  • C7-H5-O5-S.H4-N

Molecular Formula Fragments

  • C7-H5-O5-S
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C7H6O5S.H3N/c8-6-3-1-5(13(10,11)12)2-4-7(6)9;/h1-4H,(H,8,9)(H,10,11,12);1H3

InChIKey

MAAVRKRPVOQSCB-UHFFFAOYSA-N

Smiles

S(c1ccc(=O)c(cc1)O)(=O)(=O)[O-].[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 635mg/kg (635mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 918, 1957.
mouse LD50 subcutaneous 1855mg/kg (1855mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 918, 1957.