(4-dodecanoylphenyl)-dimethyl-sulfanium; methyl sulfate

Systemtic Name: (4-dodecanoylphenyl)-dimethyl-sulfanium; methyl sulfate Openeye Name: (4-dodecanoylphenyl)-dimethyl-sulfonium; methyl sulfate CAS Name: dimethyl-[4-(1-oxododecyl)phenyl]sulfonium; methyl sulfate IUPAC Name: (4-dodecanoylphenyl)-dimethylsulfanium; methyl sulfate Traditional Name: (4-lauroylphenyl)-dimethyl-sulfonium; methyl sulfate Formula: C21H36O5S2 MolecularWeight: 432.63754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CC=C(C=C1)[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CC=C(C=C1)[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H33OS.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-20(21)18-14-16-19(17-15-18)22(2)3;1-5-6(2,3)4/h14-17H,4-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1