chempirical

Sodium di-n-octyl sulfosuccinate

C20H37NaO7SCAS 1639-66-3444.56 g/mol

Open in Covalent MOL file
OOOOSO−OONa+
EsterSulfonic acid

Properties

Molecular formula
C20H37NaO7S
Molar mass
444.56 g/mol
Exact mass
444.2158 Da
logP
4.06Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
18

Identifiers

CAS number
1639-66-3
SMILES
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S([O-])(=O)=O.[Na+]
InChIKey
CUOSYYRDANYHTL-UHFFFAOYSA-N
InChI
InChI=1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1)
  • Succinic acid, sulfo-, 1,4-dioctyl ester, sodium salt
  • Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt
  • Succinic acid, sulfo-, dioctyl ester, S-sodium salt
  • Succinic acid, sulfo-, dioctyl ester, Na salt
  • Octyl alcohol, sulfosuccinate (1:2) sodium salt
  • MKC
  • Dioctyl sodiosulfosuccinate
  • Texapon DOS
  • Neocol SW 30
  • NSC 7779
  • Surfacpol 203
  • Sodium 1,2-bis(octyloxycarbonyl)-1-ethanesulfonate
  • Penetrating T
  • Dioctylsulfosuccinic acid sodium salt

Work with Sodium di-n-octyl sulfosuccinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butanedioic acid, 2-sulfo-, 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester, sodium salt (1:2)40754-59-467 % similar Isobutyl sulfosuccinic acid monosodium salt diester127-39-963 % similar Sodium lauryl sulfoacetate1847-58-156 % similar Sodium lauroylisethionate7381-01-348 % similar Hexyl isobutyrate2349-07-746 % similar Octyl butyrate110-39-444 % similar Dioctyl adipate123-79-544 % similar Decyl decanoate1654-86-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sodium bis(2-ethylhexyl) sulfosuccinate577-11-7

Elsewhere

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