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Substance Name: Calcium (4-chloro-2-methylphenoxy)acetate
RN: 72731-35-2
InChIKey: XLNYBYYHALTQAJ-UHFFFAOYSA-L

Molecular Formula

  • C9-H9-Cl-O3.1/2Ca

Molecular Weight

  • 439.3024
 
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Names and Synonyms

Synonym

  • EINECS 276-805-8

Systematic Name

  • Calcium (4-chloro-2-methylphenoxy)acetate

Registry Numbers

CAS Registry Number

  • 72731-35-2

System Generated Number

  • 0072731352

Molecular Formulas

Molecular Formula

  • C9-H9-Cl-O3.1/2Ca

Molecular Formula Fragments

  • C9-H9-Cl-O3
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H9ClO3.Ca/c2*1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2*2-4H,5H2,1H3,(H,11,12);/q;;+2/p-2

InChIKey

XLNYBYYHALTQAJ-UHFFFAOYSA-L

Smiles

Cc1cc(ccc1OCC(=O)[O-])Cl.Cc1cc(ccc1OCC(=O)[O-])Cl.[Ca+2]