1-acetyloxyheptacosane-1-sulfonic acid

Systemtic Name: 1-acetyloxyheptacosane-1-sulfonic acid Openeye Name: 1-acetoxyheptacosane-1-sulfonic acid CAS Name: 1-acetyloxy-1-heptacosanesulfonic acid IUPAC Name: 1-acetyloxyheptacosane-1-sulfonic acid Traditional Name: 1-acetoxyheptacosane-1-sulfonic acid Formula: C29H58O5S MolecularWeight: 518.83282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC(OC(=O)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(OC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C29H58O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(34-28(2)30)35(31,32)33/h29H,3-27H2,1-2H3,(H,31,32,33)