[1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl] 4-dodecylbenzenesulfonate

Systemtic Name: [1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl] 4-dodecylbenzenesulfonate Openeye Name: [1-methyl-2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [1-[4-(methylthio)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylsulfanylphenyl)-1-oxopropan-2-yl] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [2-keto-1-methyl-2-[4-(methylthio)phenyl]ethyl] ester Formula: C28H40O4S2 MolecularWeight: 504.7448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-24-15-21-27(22-16-24)34(30,31)32-23(2)28(29)25-17-19-26(33-3)20-18-25/h15-23H,4-14H2,1-3H3