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Substance Name: Calcium guaiacol sulfonate
RN: 7546-27-2
UNII: 9TQ21UB1RS
InChIKey: WALXQRGOMGLHJR-UHFFFAOYSA-L

Molecular Formula

  • C7-H8-O5-S.1/2Ca

Molecular Weight

  • 446.4646
 
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Names and Synonyms

Name of Substance

  • Calcium guaiacol sulfonate

Synonyms

  • Calcium guaiacol sulfonate
  • Calcium guaiacol sulphonate
  • Calcium guaiacolsulfonate
  • EINECS 231-429-3
  • UNII-9TQ21UB1RS

Systematic Name

  • Calcium bis(3-hydroxy-4-methoxybenzenesulphonate)

Registry Numbers

CAS Registry Number

  • 7546-27-2

FDA UNII

  • 9TQ21UB1RS

System Generated Number

  • 0007546272

Molecular Formulas

Molecular Formula

  • C7-H8-O5-S.1/2Ca

Molecular Formula Fragments

  • C7-H8-O5-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H8O5S.Ca/c2*1-12-7-3-2-5(4-6(7)8)13(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2

InChIKey

WALXQRGOMGLHJR-UHFFFAOYSA-L

Smiles

COc1ccc(cc1O)S(=O)(=O)[O-].COc1ccc(cc1O)S(=O)(=O)[O-].[Ca+2]