phenacyl tetradecane-1-sulfonate

Systemtic Name: phenacyl tetradecane-1-sulfonate Openeye Name: phenacyl tetradecane-1-sulfonate CAS Name: 1-tetradecanesulfonic acid IUPAC Name: phenacyl tetradecane-1-sulfonate Traditional Name: tetradecane-1-sulfonic acid phenacyl ester Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)OCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)OCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-27(24,25)26-20-22(23)21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3