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Substance Name: Calcium 2-(4-chloro-2-methylphenoxy)propionate
RN: 94133-77-4
InChIKey: XMEVFGZCMYDHEG-UHFFFAOYSA-L

Molecular Formula

  • C10-H11-Cl-O3.1/2Ca

Molecular Weight

  • 467.356
 
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Names and Synonyms

Synonym

  • EINECS 302-740-2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94133-77-4

System Generated Number

  • 0094133774

Molecular Formulas

Molecular Formula

  • C10-H11-Cl-O3.1/2Ca

Molecular Formula Fragments

  • C10-H11-Cl-O3
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H11ClO3.Ca/c2*1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h2*3-5,7H,1-2H3,(H,12,13);/q;;+2/p-2

InChIKey

XMEVFGZCMYDHEG-UHFFFAOYSA-L

Smiles

[Ca+2].C([C@@H](Oc1c(C)cc(Cl)cc1)C)(=O)[O-].C([C@@H](C)Oc1c(cc(cc1)Cl)C)(=O)[O-]