methane; phenacyl tetradecane-1-sulfonate

Systemtic Name: methane; phenacyl tetradecane-1-sulfonate Openeye Name: methane; phenacyl tetradecane-1-sulfonate CAS Name: methane; 1-tetradecanesulfonic acid IUPAC Name: methane; phenacyl tetradecane-1-sulfonate Traditional Name: methane; tetradecane-1-sulfonic acid phenacyl ester Formula: C23H40O4S MolecularWeight: 412.6263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O4S.CH4/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;1H4