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Substance Name: 5,5'-(3H-2,1-Benzoxathiol-3-ylidene)bis(3-methylsalicylic) acid S,S-dioxide, sodium salt
RN: 83784-16-1
InChIKey: HJEGHSWGWSAZBS-UHFFFAOYSA-N

Molecular Formula

  • C23-H18-O9-S.x-Na

Molecular Weight

  • 493.4422
 
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Names and Synonyms

Synonym

  • EINECS 280-847-2

Systematic Name

  • 5,5'-(3H-2,1-Benzoxathiol-3-ylidene)bis(3-methylsalicylic) acid S,S-dioxide, sodium salt

Registry Numbers

CAS Registry Number

  • 83784-16-1

System Generated Number

  • 0083784161

Molecular Formulas

Molecular Formula

  • C23-H18-O9-S.x-Na

Molecular Formula Fragments

  • C23-H18-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H18O9S.Na/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23;/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29);/q;+1

InChIKey

HJEGHSWGWSAZBS-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1O)C(=O)O)C2(c3ccccc3S(=O)(=O)O2)c4cc(c(c(c4)C(=O)O)O)C.[Na+]