[3-butyl-4-(dimethylcarbamoyloxy)phenyl]-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [3-butyl-4-(dimethylcarbamoyloxy)phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [3-butyl-4-(dimethylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [3-butyl-4-[dimethylamino(oxo)methoxy]phenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [3-butyl-4-(dimethylcarbamoyloxy)phenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [3-butyl-4-(dimethylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C16H27NO6S2 MolecularWeight: 393.51868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)[S+](C)C)OC(=O)N(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1)[S+](C)C)OC(=O)N(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H24NO2S.CH4O4S/c1-6-7-8-12-11-13(19(4)5)9-10-14(12)18-15(17)16(2)3;1-5-6(2,3)4/h9-11H,6-8H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1