1-(2-ethylhexoxy)-1-oxidanylidene-hexane-2-sulfonic acid

Systemtic Name: 1-(2-ethylhexoxy)-1-oxidanylidene-hexane-2-sulfonic acid Openeye Name: 1-(2-ethylhexoxy)-1-oxo-hexane-2-sulfonic acid CAS Name: 1-(2-ethylhexoxy)-1-oxo-2-hexanesulfonic acid IUPAC Name: 1-(2-ethylhexoxy)-1-oxohexane-2-sulfonic acid Traditional Name: 1-(2-ethylhexoxy)-1-keto-hexane-2-sulfonic acid Formula: C14H28O5S MolecularWeight: 308.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(CCCC)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C(CCCC)S(=O)(=O)O

InChI

InChI=1S/C14H28O5S/c1-4-7-9-12(6-3)11-19-14(15)13(10-8-5-2)20(16,17)18/h12-13H,4-11H2,1-3H3,(H,16,17,18)