potassium 1-octoxy-1-oxidanylidene-dodecane-2-sulfonic acid

Systemtic Name: potassium 1-octoxy-1-oxidanylidene-dodecane-2-sulfonic acid Openeye Name: potassium 1-octoxy-1-oxo-dodecane-2-sulfonic acid CAS Name: potassium 1-octoxy-1-oxo-2-dodecanesulfonic acid IUPAC Name: potassium 1-octoxy-1-oxododecane-2-sulfonic acid Traditional Name: potassium 1-keto-1-octoxy-dodecane-2-sulfonic acid Formula: C20H40KO5S+ MolecularWeight: 431.6919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OCCCCCCCC)S(=O)(=O)O.[K+]

Isomeric SMILES

CCCCCCCCCCC(C(=O)OCCCCCCCC)S(=O)(=O)O.[K+]

InChI

InChI=1S/C20H40O5S.K/c1-3-5-7-9-11-12-13-15-17-19(26(22,23)24)20(21)25-18-16-14-10-8-6-4-2;/h19H,3-18H2,1-2H3,(H,22,23,24);/q;+1