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Substance Name: Calcium p-dodecylbenzenesulfonate
RN: 47236-10-2
UNII: S122DRS812
InChIKey: IQAXZJZTCMIPCX-UHFFFAOYSA-L

Molecular Formula

  • C18-H30-O3-S.1/2Ca

Molecular Weight

  • 691.058
 
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Names and Synonyms

Name of Substance

  • Calcium p-dodecylbenzenesulfonate

Synonyms

  • Benzenesulfonic acid, 4-dodecyl-, calcium salt
  • NSC 85531
  • UNII-S122DRS812

Systematic Names

  • Benzenesulfonic acid, 4-dodecyl-, calcium salt
  • Benzenesulfonic acid, 4-dodecyl-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 47236-10-2

FDA UNII

  • S122DRS812

Other Registry Number

  • 119409-06-2

System Generated Number

  • 0047236102

Molecular Formulas

Molecular Formula

  • C18-H30-O3-S.1/2Ca

Molecular Formula Fragments

  • C18-H30-O3-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H30O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h2*13-16H,2-12H2,1H3,(H,19,20,21);/q;;+2/p-2

InChIKey

IQAXZJZTCMIPCX-UHFFFAOYSA-L

Smiles

[Ca+2].c1(ccc(CCCCCCCCCCCC)cc1)S(=O)(=O)[O-].c1(ccc(cc1)CCCCCCCCCCCC)S(=O)(=O)[O-]