dimethyl(octadecyl)sulfanium; methyl hydrogen sulfate

Systemtic Name: dimethyl(octadecyl)sulfanium; methyl hydrogen sulfate Openeye Name: dimethyl(octadecyl)sulfonium; methyl hydrogen sulfate CAS Name: dimethyl(octadecyl)sulfonium; sulfuric acid methyl ester IUPAC Name: dimethyl(octadecyl)sulfanium; methyl hydrogen sulfate Traditional Name: dimethyl(stearyl)sulfonium; sulfuric acid methyl ester Formula: C21H47O4S2+ MolecularWeight: 427.72548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[S+](C)C.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[S+](C)C.COS(=O)(=O)O

InChI

InChI=1S/C20H43S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-5-6(2,3)4/h4-20H2,1-3H3;1H3,(H,2,3,4)/q+1;