[2-oxidanylidene-2-[2-[2,2,2-tris(chloranyl)ethanoylsulfanyl]ethylamino]ethyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-[2,2,2-tris(chloranyl)ethanoylsulfanyl]ethylamino]ethyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-oxo-2-[2-(2,2,2-trichloroacetyl)sulfanylethylamino]ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [2-oxo-2-[2-[(2,2,2-trichloro-1-oxoethyl)thio]ethylamino]ethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [2-oxo-2-[2-(2,2,2-trichloroacetyl)sulfanylethylamino]ethyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [2-keto-2-[2-[(2,2,2-trichloroacetyl)thio]ethylamino]ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C8H10Cl3F3N2O4S MolecularWeight: 393.59521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CSC(=O)C(Cl)(Cl)Cl)NC(=O)C[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C(CSC(=O)C(Cl)(Cl)Cl)NC(=O)C[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C6H9Cl3N2O2S.C2HF3O2/c7-6(8,9)5(13)14-2-1-11-4(12)3-10;3-2(4,5)1(6)7/h1-3,10H2,(H,11,12);(H,6,7)