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

Systemtic Name: [2-[2-(2-chloranylethanoylsulfanyl)ethylamino]-2-oxidanylidene-ethyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-[2-(2-chloroacetyl)sulfanylethylamino]-2-oxo-ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [2-[2-[(2-chloro-1-oxoethyl)thio]ethylamino]-2-oxoethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [2-[2-(2-chloroacetyl)sulfanylethylamino]-2-oxoethyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [2-[2-[(2-chloroacetyl)thio]ethylamino]-2-keto-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C8H12ClF3N2O4S MolecularWeight: 324.70509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11ClN2O2S.C2HF3O2/c7-3-6(11)12-2-1-9-5(10)4-8;3-2(4,5)1(6)7/h1-4,8H2,(H,9,10);(H,6,7)