(1-oxidanylidene-1-phenacyloxy-3-sulfanyl-propan-2-yl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (1-oxidanylidene-1-phenacyloxy-3-sulfanyl-propan-2-yl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-oxo-2-phenacyloxy-1-(sulfanylmethyl)ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: (3-mercapto-1-oxo-1-phenacyloxypropan-2-yl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: (1-oxo-1-phenacyloxy-3-sulfanylpropan-2-yl)azanium; 2,2,2-trifluoroacetate Traditional Name: [2-keto-1-(mercaptomethyl)-2-phenacyloxy-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C13H14F3NO5S MolecularWeight: 353.31417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C(CS)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C(CS)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H13NO3S.C2HF3O2/c12-9(7-16)11(14)15-6-10(13)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5,9,16H,6-7,12H2;(H,6,7)