potassium 2-acetyloxypentacosane-1-sulfonic acid

Systemtic Name: potassium 2-acetyloxypentacosane-1-sulfonic acid Openeye Name: potassium 2-acetoxypentacosane-1-sulfonic acid CAS Name: potassium 2-acetyloxy-1-pentacosanesulfonic acid IUPAC Name: potassium 2-acetyloxypentacosane-1-sulfonic acid Traditional Name: potassium 2-acetoxypentacosane-1-sulfonic acid Formula: C27H54KO5S+ MolecularWeight: 529.87796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(CS(=O)(=O)O)OC(=O)C.[K+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(CS(=O)(=O)O)OC(=O)C.[K+]

InChI

InChI=1S/C27H54O5S.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(32-26(2)28)25-33(29,30)31;/h27H,3-25H2,1-2H3,(H,29,30,31);/q;+1