[2-acetamido-3-(trifluoromethyl)phenyl]methyl-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [2-acetamido-3-(trifluoromethyl)phenyl]methyl-dimethyl-sulfanium; methyl sulfate Openeye Name: [2-acetamido-3-(trifluoromethyl)phenyl]methyl-dimethyl-sulfonium; methyl sulfate CAS Name: [2-acetamido-3-(trifluoromethyl)phenyl]methyl-dimethylsulfonium; methyl sulfate IUPAC Name: [2-acetamido-3-(trifluoromethyl)phenyl]methyl-dimethylsulfanium; methyl sulfate Traditional Name: [2-acetamido-3-(trifluoromethyl)benzyl]-dimethyl-sulfonium; methyl sulfate Formula: C13H18F3NO5S2 MolecularWeight: 389.41093

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC=C1C(F)(F)F)C[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=CC=C1C(F)(F)F)C[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H14F3NOS.CH4O4S/c1-8(17)16-11-9(7-18(2)3)5-4-6-10(11)12(13,14)15;1-5-6(2,3)4/h4-6H,7H2,1-3H3;1H3,(H,2,3,4)