potassium 2-acetyloxynonacosane-1-sulfonic acid

Systemtic Name: potassium 2-acetyloxynonacosane-1-sulfonic acid Openeye Name: potassium 2-acetoxynonacosane-1-sulfonic acid CAS Name: potassium 2-acetyloxy-1-nonacosanesulfonic acid IUPAC Name: potassium 2-acetyloxynonacosane-1-sulfonic acid Traditional Name: potassium 2-acetoxynonacosane-1-sulfonic acid Formula: C31H62KO5S+ MolecularWeight: 585.98428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62O5S.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(36-30(2)32)29-37(33,34)35;/h31H,3-29H2,1-2H3,(H,33,34,35);/q;+1