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Substance Name: Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, sodium salt (1:1)
RN: 67845-71-0
InChIKey: SBPBSOBHPJTNLV-UHFFFAOYSA-M

Molecular Formula

  • C16-H32-O5-S.Na

Molecular Weight

  • 358.472
 
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Names and Synonyms

Synonyms

  • alpha-Sulfo 2-ethylhexyl caprylate, sodium salt
  • Sodium 1-(2-ethylhexyl) 2-sulfooctanoate

Systematic Names

  • Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, sodium salt
  • Octanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 67845-71-0

System Generated Number

  • 0067845710

Molecular Formulas

Molecular Formula

  • C16-H32-O5-S.Na

Molecular Formula Fragments

  • C16-H32-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H32O5S.Na/c1-4-7-9-10-12-15(22(18,19)20)16(17)21-13-14(6-3)11-8-5-2;/h14-15H,4-13H2,1-3H3,(H,18,19,20);/q;+1/p-1

InChIKey

SBPBSOBHPJTNLV-UHFFFAOYSA-M

Smiles

S(=O)(=O)([O-])[C@@H](CCCCCC)C(=O)OC[C@@H](CCCC)CC.[Na+]