BMRB

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:

dioctyl sulfosuccinate image

Molecular Formula: C20 H38 O7 S

Natural Isotopic Abundance Mass: 422.57652

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical and isomeric SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O

PUBCHEM iupac NAME
1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid

PUBCHEM iupac TRADITIONAL NAME
1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid

PUBCHEM iupac OPENEYE NAME
1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid

PUBCHEM iupac CAS NAME
1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid

PUBCHEM iupac SYSTEMATIC NAME
1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

PubChem Substance (SID):   111677852   35230710   10486471
PubChem Compound (CID):   11339
KEGG: Compound ID   C07874
CAS Registry IDs:   10041-19-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChemSpider 13838831   NIST 4132196422

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.