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Substance Name: 1-Docosanol, 1-(hydrogen sulfate), calcium salt (2:1)
RN: 72018-25-8
InChIKey: PHIXWQJPNMQWFK-UHFFFAOYSA-L

Molecular Formula

  • C22-H46-O4-S.1/2Ca

Molecular Weight

  • 851.397
 
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Names and Synonyms

Synonyms

  • EINECS 276-300-2
  • Sulfuric acid, monodocosyl ester, calcium salt

Systematic Names

  • 1-Docosanol, 1-(hydrogen sulfate), calcium salt (2:1)
  • 1-Docosanol, hydrogen sulfate, calcium salt
  • Calcium didocosyl bis(sulphate)

Registry Numbers

CAS Registry Number

  • 72018-25-8

System Generated Number

  • 0072018258

Molecular Formulas

Molecular Formula

  • C22-H46-O4-S.1/2Ca

Molecular Formula Fragments

  • C22-H46-O4-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H46O4S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2*2-22H2,1H3,(H,23,24,25);/q;;+2/p-2

InChIKey

PHIXWQJPNMQWFK-UHFFFAOYSA-L

Smiles

[Ca+2].[O-]S(=O)(=O)OCCCCCCCCCCCCCCCCCCCCCC.[O-]S(OCCCCCCCCCCCCCCCCCCCCCC)(=O)=O