magnesium 2-methyl-6-octadecyl-benzenesulfonate

Systemtic Name: magnesium 2-methyl-6-octadecyl-benzenesulfonate Openeye Name: magnesium 2-methyl-6-octadecyl-benzenesulfonate CAS Name: magnesium 2-methyl-6-octadecylbenzenesulfonate IUPAC Name: magnesium 2-methyl-6-octadecylbenzenesulfonate Traditional Name: magnesium 2-methyl-6-stearyl-besylate Formula: C50H86MgO6S2 MolecularWeight: 871.64924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1S(=O)(=O)[O-])C.CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1S(=O)(=O)[O-])C.[Mg+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1S(=O)(=O)[O-])C.CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1S(=O)(=O)[O-])C.[Mg+2]

InChI

InChI=1S/2C25H44O3S.Mg/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23(2)25(24)29(26,27)28;/h2*19-20,22H,3-18,21H2,1-2H3,(H,26,27,28);/q;;+2/p-2