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Substance Name: Calcium di-1-docosyl bis(2-hexadecenyl)succinate
RN: 84540-45-4
InChIKey: YUMWCHYOXGNBKT-HKUFYVQESA-L

Molecular Formula

  • C42-H80-O4.1/2Ca

Molecular Weight

  • 1218.1548
 
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Names and Synonyms

Synonym

  • EINECS 283-139-1

Systematic Name

  • Calcium di-1-docosyl bis(2-hexadecenyl)succinate

Registry Numbers

CAS Registry Number

  • 84540-45-4

System Generated Number

  • 0084540454

Molecular Formulas

Molecular Formula

  • C42-H80-O4.1/2Ca

Molecular Formula Fragments

  • C42-H80-O4
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C80H154O4.Ca/c1-5-9-13-17-21-25-29-33-37-39-41-43-45-47-51-55-59-63-67-71-75-80(78(83)84,76-72-68-64-60-56-52-48-46-44-42-40-38-34-30-26-22-18-14-10-6-2)79(77(81)82,73-69-65-61-57-53-49-35-31-27-23-19-15-11-7-3)74-70-66-62-58-54-50-36-32-28-24-20-16-12-8-4;/h65-66,69-70H,5-64,67-68,71-76H2,1-4H3,(H,81,82)(H,83,84);/q;+2/p-2/b69-65+,70-66+;

InChIKey

YUMWCHYOXGNBKT-HKUFYVQESA-L

Smiles

C(C(C(=O)[O-])(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC)(C(=O)[O-])(C/C=C/CCCCCCCCCCCCC)C/C=C/CCCCCCCCCCCCC.[Ca+2]