sodium 2-sulfooxyoctadecanoic acid

Systemtic Name: sodium 2-sulfooxyoctadecanoic acid Openeye Name: sodium 2-sulfooxyoctadecanoic acid CAS Name: sodium 2-sulfooxyoctadecanoic acid IUPAC Name: sodium 2-sulfooxyoctadecanoic acid Traditional Name: sodium 2-sulfoxystearic acid Formula: C18H36NaO6S+ MolecularWeight: 403.52961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)O)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H36O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20)24-25(21,22)23;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1