Docusate calcium

CAS Registry Number®

128-49-4

CAS Name

Docusate calcium

Molecular Formula

C20H38O7S.1/2Ca

Cite this Page

Docusate calcium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=128-49-4 (retrieved 2024-12-22) (CAS RN: 128-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H38O7S.Ca/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);

InChIKey

InChIKey=ANVYQRLTCVRYMF-UHFFFAOYSA-N

SMILES

C(C(OCC(CCCC)CC)=O)(CC(OCC(CCCC)CC)=O)S(=O)(=O)O.[Ca]

Canonical SMILES

[Ca].O=C(OCC(CC)CCCC)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O

Other Names for this Substance

  • Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, calcium salt (2:1)
  • Succinic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, calcium salt
  • Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, calcium salt
  • Dioctyl calcium sulfosuccinate
  • Sulfosuccinic acid, bis(2-ethylhexyl) ester, calcium salt

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