(2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl) 4-dodecylbenzenesulfonate

Systemtic Name: (2-methyl-2-oxidanyl-3-oxidanylidene-3-phenyl-propyl) 4-dodecylbenzenesulfonate Openeye Name: (2-hydroxy-2-methyl-3-oxo-3-phenyl-propyl) 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid (2-hydroxy-2-methyl-3-oxo-3-phenylpropyl) ester IUPAC Name: (2-hydroxy-2-methyl-3-oxo-3-phenylpropyl) 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid (2-hydroxy-3-keto-2-methyl-3-phenyl-propyl) ester Formula: C28H40O5S MolecularWeight: 488.6792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O5S/c1-3-4-5-6-7-8-9-10-11-13-16-24-19-21-26(22-20-24)34(31,32)33-23-28(2,30)27(29)25-17-14-12-15-18-25/h12,14-15,17-22,30H,3-11,13,16,23H2,1-2H3