sodium 11-methyl-1-(2-methylphenyl)dodecane-1-sulfonate

Systemtic Name: sodium 11-methyl-1-(2-methylphenyl)dodecane-1-sulfonate Openeye Name: sodium 11-methyl-1-(o-tolyl)dodecane-1-sulfonate CAS Name: sodium 11-methyl-1-(2-methylphenyl)-1-dodecanesulfonate IUPAC Name: sodium 11-methyl-1-(2-methylphenyl)dodecane-1-sulfonate Traditional Name: sodium 11-methyl-1-(o-tolyl)dodecane-1-sulfonate Formula: C20H33NaO3S MolecularWeight: 376.52899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1C(CCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H34O3S.Na/c1-17(2)13-9-7-5-4-6-8-10-16-20(24(21,22)23)19-15-12-11-14-18(19)3;/h11-12,14-15,17,20H,4-10,13,16H2,1-3H3,(H,21,22,23);/q;+1/p-1