potassium 2-methyl-2-[4-octadecyl-2,5-bis(oxidanyl)phenyl]propane-1-sulfonate

Systemtic Name: potassium 2-methyl-2-[4-octadecyl-2,5-bis(oxidanyl)phenyl]propane-1-sulfonate Openeye Name: potassium 2-(2,5-dihydroxy-4-octadecyl-phenyl)-2-methyl-propane-1-sulfonate CAS Name: potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methyl-1-propanesulfonate IUPAC Name: potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methylpropane-1-sulfonate Traditional Name: potassium 2-(2,5-dihydroxy-4-stearyl-phenyl)-2-methyl-propane-1-sulfonate Formula: C28H49KO5S MolecularWeight: 536.84896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1O)C(C)(C)CS(=O)(=O)[O-])O.[K+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1O)C(C)(C)CS(=O)(=O)[O-])O.[K+]

InChI

InChI=1S/C28H50O5S.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-27(30)25(22-26(24)29)28(2,3)23-34(31,32)33;/h21-22,29-30H,4-20,23H2,1-3H3,(H,31,32,33);/q;+1/p-1