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Substance Name: Calcium 3,5,5-trimethylhexanoate
RN: 64216-15-5
InChIKey: HTIMJOMXENVRPZ-UHFFFAOYSA-L

Molecular Formula

  • C9-H18-O2.1/2Ca

Molecular Weight

  • 354.5406
 
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Names and Synonyms

Synonym

  • EINECS 264-731-9

Systematic Name

  • Calcium 3,5,5-trimethylhexanoate

Registry Numbers

CAS Registry Number

  • 64216-15-5

System Generated Number

  • 0064216155

Molecular Formulas

Molecular Formula

  • C9-H18-O2.1/2Ca

Molecular Formula Fragments

  • C9-H18-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H18O2.Ca/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2

InChIKey

HTIMJOMXENVRPZ-UHFFFAOYSA-L

Smiles

CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C.[Ca+2]