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Substance Name: 1-Propanesulfonic acid, 3-((4-hydroxy-3-(2-(3-hydroxy-4-methoxyphenyl)ethyl)-1,2-benzisoxazol-6-yl)oxy)-, monopotassium salt
RN: 70413-09-1
InChIKey: MSIFJPMQLAWCPG-UHFFFAOYSA-N

Molecular Formula

  • C19-H21-N-O8-S.K

Molecular Weight

  • 462.538
 
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Names and Synonyms

Synonym

  • 3-((4-Hydroxy-3-(2-(3-hydroxy-4-methoxyphenyl)ethyl)-1,2-benzisoxazol-6-yl)oxy)-1-propanesulfonic acid monopotassium salt

Systematic Name

  • 1-Propanesulfonic acid, 3-((4-hydroxy-3-(2-(3-hydroxy-4-methoxyphenyl)ethyl)-1,2-benzisoxazol-6-yl)oxy)-, monopotassium salt

Registry Numbers

CAS Registry Number

  • 70413-09-1

System Generated Number

  • 0070413091

Molecular Formulas

Molecular Formula

  • C19-H21-N-O8-S.K

Molecular Formula Fragments

  • C19-H21-N-O8-S
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C19H21NO8S.K/c1-26-17-6-4-12(9-15(17)21)3-5-14-19-16(22)10-13(11-18(19)28-20-14)27-7-2-8-29(23,24)25;/h4,6,9-11,21-22H,2-3,5,7-8H2,1H3,(H,23,24,25);/q;+1

InChIKey

MSIFJPMQLAWCPG-UHFFFAOYSA-N

Smiles

[K+].C(S(=O)(O)=O)CCOc1cc(c2c(noc2c1)CCc1ccc(c(c1)O)OC)O