2-azanylethanoyl(2-ethanoylsulfanylethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-azanylethanoyl(2-ethanoylsulfanylethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-acetylsulfanylethyl-(2-aminoacetyl)ammonium; 2,2,2-trifluoroacetate CAS Name: 2-(acetylthio)ethyl-(2-amino-1-oxoethyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: 2-acetylsulfanylethyl-(2-aminoacetyl)azanium; 2,2,2-trifluoroacetate Traditional Name: 2-(acetylthio)ethyl-glycyl-ammonium; 2,2,2-trifluoroacetate Formula: C8H13F3N2O4S MolecularWeight: 290.26003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[NH2+]C(=O)CN.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)SCC[NH2+]C(=O)CN.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C6H12N2O2S.C2HF3O2/c1-5(9)11-3-2-8-6(10)4-7;3-2(4,5)1(6)7/h2-4,7H2,1H3,(H,8,10);(H,6,7)