(1-oxidanylidene-1-phenyl-propan-2-yl) 4-dodecylbenzenesulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-dodecylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C27H38O4S MolecularWeight: 458.65322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H38O4S/c1-3-4-5-6-7-8-9-10-11-13-16-24-19-21-26(22-20-24)32(29,30)31-23(2)27(28)25-17-14-12-15-18-25/h12,14-15,17-23H,3-11,13,16H2,1-2H3