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Substance Name: Acetic acid, (4-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-3,5-dihydroxyphenoxy)-, monosodium salt
RN: 70412-99-6
InChIKey: KPCZPCOFFOHGGS-UHFFFAOYSA-M

Molecular Weight

  • 382.298
 
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Names and Synonyms

Synonym

  • (4-(3-(1,3-Benzodioxol-5-yl)-1-oxopropyl)-3,5-dihydroxyphenoxy)acetic acid monosodium salt

Systematic Name

  • Acetic acid, (4-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-3,5-dihydroxyphenoxy)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 70412-99-6

System Generated Number

  • 0070412996

Structure Descriptors

InChI

1S/C18H16O8.Na/c19-12(3-1-10-2-4-15-16(5-10)26-9-25-15)18-13(20)6-11(7-14(18)21)24-8-17(22)23;/h2,4-7,20-21H,1,3,8-9H2,(H,22,23);/q;+1/p-1

InChIKey

KPCZPCOFFOHGGS-UHFFFAOYSA-M

Smiles

[Na+].C(COc1cc(c(c(c1)O)C(CCc1cc2OCOc2cc1)=O)O)(=O)[O-]