Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Dioctyl Sulfosuccinate

Graphical representations:


View large 3D structure

Molecular Formula: C20H38O7S

Natural Isotopic Abundance Mass: 422.57652

Mono-Isotopic Molecular Masses:

  • C12N14: 422.2338242645
  • C13N14: 442.3009210205
  • C12N15: 422.2338242645
  • C13N15: 442.3009210205

InChI string: InChI=1S/C20H38O7S/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)

PubChem Compound (CID): 11339
CAS Registry number: 10041-19-7
ChemSpider: 13838831
KEGG Compound ID: C07874
NIST: 4132196422

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,