methane; phenacyl hexadecane-1-sulfonate

Systemtic Name: methane; phenacyl hexadecane-1-sulfonate Openeye Name: methane; phenacyl hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid; methane IUPAC Name: methane; phenacyl hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid phenacyl ester; methane Formula: C25H44O4S MolecularWeight: 440.67946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O4S.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-29(26,27)28-22-24(25)23-19-16-15-17-20-23;/h15-17,19-20H,2-14,18,21-22H2,1H3;1H4