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

Systemtic Name: [2-[2-[2-(2-azaniumylethanoylamino)ethyldisulfanyl]ethylamino]-2-oxidanylidene-ethyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-[2-[2-[(2-azaniumylacetyl)amino]ethyldisulfanyl]ethylamino]-2-oxo-ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [2-[2-[2-[(2-ammonio-1-oxoethyl)amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [2-[2-[2-[(2-azaniumylacetyl)amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [2-[2-[2-[(2-ammonioacetyl)amino]ethyldisulfanyl]ethylamino]-2-keto-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C12H20F6N4O6S2 MolecularWeight: 494.430819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18N4O2S2.2C2HF3O2/c9-5-7(13)11-1-3-15-16-4-2-12-8(14)6-10;2*3-2(4,5)1(6)7/h1-6,9-10H2,(H,11,13)(H,12,14);2*(H,6,7)