[4-ethyl-3,5-dimethyl-2-(propylcarbamoyloxy)phenyl]-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [4-ethyl-3,5-dimethyl-2-(propylcarbamoyloxy)phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [4-ethyl-3,5-dimethyl-2-(propylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [4-ethyl-3,5-dimethyl-2-[oxo(propylamino)methoxy]phenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [4-ethyl-3,5-dimethyl-2-(propylcarbamoyloxy)phenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [4-ethyl-3,5-dimethyl-2-(propylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C17H29NO6S2 MolecularWeight: 407.54526

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OC1=C(C=C(C(=C1C)CC)C)[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCNC(=O)OC1=C(C=C(C(=C1C)CC)C)[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H25NO2S.CH4O4S/c1-7-9-17-16(18)19-15-12(4)13(8-2)11(3)10-14(15)20(5)6;1-5-6(2,3)4/h10H,7-9H2,1-6H3;1H3,(H,2,3,4)