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Substance Name: Quinacetol [ISO]
RN: 57130-91-3
UNII: 9YSE0U52IW
InChIKey: CDEWHBGYSWJUFP-UHFFFAOYSA-N

Molecular Formula

  • C11-H9-N-O2.1/2H2-O4-S

Molecular Weight

  • 472.472
 
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Names and Synonyms

Name of Substance

  • Quinacetol [ISO]

Synonyms

  • EINECS 260-579-2
  • Quinacetol
  • UNII-9YSE0U52IW

Systematic Name

  • Bis(5-acetyl-8-hydroxyquinolinium) sulphate

Registry Numbers

CAS Registry Number

  • 57130-91-3

FDA UNII

  • 9YSE0U52IW

System Generated Number

  • 0057130913

Molecular Formulas

Molecular Formula

  • C11-H9-N-O2.1/2H2-O4-S

Molecular Formula Fragments

  • C11-H9-N-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)

InChIKey

CDEWHBGYSWJUFP-UHFFFAOYSA-N

Smiles

C(C)(c1c2cccnc2c(cc1)O)=O.S(=O)(=O)(O)O.C(C)(c1c2cccnc2c(cc1)O)=O