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Substance Name: Legumin
RN: 8065-16-5
InChIKey: NEKNNCABDXGBEN-UHFFFAOYSA-L

Molecular Formula

  • C11-H13-Cl-O3.C10-H10-Cl2-O3.2Na

Molecular Weight

  • 521.73
 
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Names and Synonyms

Results Name

  • Legumin

Synonym

  • Legumin

Systematic Name

  • Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt, mixt. with sodium 4-(2,4-dichlorophenoxy)butanoate

Registry Numbers

CAS Registry Number

  • 8065-16-5

System Generated Number

  • 0008065165

Molecular Formulas

Molecular Formula

  • C11-H13-Cl-O3.C10-H10-Cl2-O3.2Na

Molecular Formula Fragments

  • C10-H10-Cl2-O3
  • C11-H13-Cl-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H13ClO3.C10H10Cl2O3.2Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14;;/h4-5,7H,2-3,6H2,1H3,(H,13,14);3-4,6H,1-2,5H2,(H,13,14);;/q;;2*+1/p-2

InChIKey

NEKNNCABDXGBEN-UHFFFAOYSA-L

Smiles

[Na+].C(CCCOc1ccc(Cl)cc1Cl)(=O)[O-].[Na+].C(CCCOc1c(cc(cc1)Cl)C)(=O)[O-]