[3-(ethylcarbamoyloxy)-2,5-dimethyl-4-prop-2-enyl-phenyl]-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [3-(ethylcarbamoyloxy)-2,5-dimethyl-4-prop-2-enyl-phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [4-allyl-3-(ethylcarbamoyloxy)-2,5-dimethyl-phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [3-(ethylcarbamoyloxy)-2,5-dimethyl-4-prop-2-enylphenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [3-(ethylcarbamoyloxy)-2,5-dimethyl-4-prop-2-enylphenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [4-allyl-3-(ethylcarbamoyloxy)-2,5-dimethyl-phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C17H27NO6S2 MolecularWeight: 405.52938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2S.CH4O4S/c1-7-9-13-11(3)10-14(20(5)6)12(4)15(13)19-16(18)17-8-2;1-5-6(2,3)4/h7,10H,1,8-9H2,2-6H3;1H3,(H,2,3,4)