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Substance Name: Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)
RN: 36452-66-1
InChIKey: WPBKLXIJCPTIAL-UHFFFAOYSA-L

Molecular Formula

  • C15-H30-O2-S.1/2Ca

Molecular Weight

  • 586.994
 
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Names and Synonyms

Synonyms

  • Calcium 3-dodecylthiopropanoate
  • Calcium 3-laurylthiopropionate
  • EINECS 253-046-0

Systematic Names

  • Calcium bis(3-(dodecylthio)propionate)
  • Propanoic acid, 3-(dodecylthio)-, calcium salt
  • Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 36452-66-1

System Generated Number

  • 0036452661

Molecular Formulas

Molecular Formula

  • C15-H30-O2-S.1/2Ca

Molecular Formula Fragments

  • C15-H30-O2-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H30O2S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2

InChIKey

WPBKLXIJCPTIAL-UHFFFAOYSA-L

Smiles

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