6-(5,5-diethyl-7-oxidanyl-heptoxy)-2,2-diethyl-hexane-1-sulfonic acid

Systemtic Name: 6-(5,5-diethyl-7-oxidanyl-heptoxy)-2,2-diethyl-hexane-1-sulfonic acid Openeye Name: 6-(5,5-diethyl-7-hydroxy-heptoxy)-2,2-diethyl-hexane-1-sulfonic acid CAS Name: 6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethyl-1-hexanesulfonic acid IUPAC Name: 6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonic acid Traditional Name: 6-(5,5-diethyl-7-hydroxy-heptoxy)-2,2-diethyl-hexane-1-sulfonic acid Formula: C21H44O5S MolecularWeight: 408.63606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)CS(=O)(=O)O)CCO

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)CS(=O)(=O)O)CCO

InChI

InChI=1S/C21H44O5S/c1-5-20(6-2,15-16-22)13-9-11-17-26-18-12-10-14-21(7-3,8-4)19-27(23,24)25/h22H,5-19H2,1-4H3,(H,23,24,25)