(2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl) hexadecane-1-sulfonate

Systemtic Name: (2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl) hexadecane-1-sulfonate Openeye Name: (2-hydroxy-2-methyl-3-oxo-3-phenyl-propyl) hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: (2-hydroxy-2-methyl-3-oxo-3-phenylpropyl) hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid (2-hydroxy-3-keto-2-methyl-3-phenyl-propyl) ester Formula: C26H44O5S MolecularWeight: 468.68956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(29,30)31-23-26(2,28)25(27)24-20-17-16-18-21-24/h16-18,20-21,28H,3-15,19,22-23H2,1-2H3