[3-methyl-1-(4-methylsulfanylphenyl)-1-oxidanylidene-butan-2-yl] 4-dodecylbenzenesulfonate

Systemtic Name: [3-methyl-1-(4-methylsulfanylphenyl)-1-oxidanylidene-butan-2-yl] 4-dodecylbenzenesulfonate Openeye Name: [2-methyl-1-(4-methylsulfanylbenzoyl)propyl] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [3-methyl-1-[4-(methylthio)phenyl]-1-oxobutan-2-yl] ester IUPAC Name: [3-methyl-1-(4-methylsulfanylphenyl)-1-oxobutan-2-yl] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [2-methyl-1-[4-(methylthio)benzoyl]propyl] ester Formula: C30H44O4S2 MolecularWeight: 532.79796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44O4S2/c1-5-6-7-8-9-10-11-12-13-14-15-25-16-22-28(23-17-25)36(32,33)34-30(24(2)3)29(31)26-18-20-27(35-4)21-19-26/h16-24,30H,5-15H2,1-4H3