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Substance Name: 3-Hexanesulfonic acid, 1-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-5,6-dihydroxy-, monopotassium salt
RN: 69873-10-5
InChIKey: DUCYCLBRDPVUTO-UHFFFAOYSA-M

Molecular Weight

  • 538.608
 
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Names and Synonyms

Synonym

  • 1-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-5,6-dihydroxy-3-hexanesulfonic acid monopotassium salt

Systematic Name

  • 3-Hexanesulfonic acid, 1-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-5,6-dihydroxy-, monopotassium salt

Registry Numbers

CAS Registry Number

  • 69873-10-5

System Generated Number

  • 0069873105

Structure Descriptors

InChI

1S/C22H28O11S.K/c1-32-21-5-3-13(8-18(21)26)2-4-17(25)22-19(27)10-15(11-20(22)28)33-7-6-16(34(29,30)31)9-14(24)12-23;/h3,5,8,10-11,14,16,23-24,26-28H,2,4,6-7,9,12H2,1H3,(H,29,30,31);/q;+1/p-1

InChIKey

DUCYCLBRDPVUTO-UHFFFAOYSA-M

Smiles

[K+].C(C[C@@H](C[C@@H](CO)O)S(=O)(=O)[O-])Oc1cc(c(c(c1)O)C(CCc1cc(c(cc1)OC)O)=O)O