3-azanyl-2-(butylsulfonylamino)propanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azanyl-2-(butylsulfonylamino)propanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-amino-2-(butylsulfonylamino)propanoate; 2,2,2-trifluoroacetate CAS Name: 3-amino-2-(butylsulfonylamino)propanoate; 2,2,2-trifluoroacetate IUPAC Name: 3-amino-2-(butylsulfonylamino)propanoate; 2,2,2-trifluoroacetate Traditional Name: 3-amino-2-(butylsulfonylamino)propionate; 2,2,2-trifluoroacetate Formula: C9H15F3N2O6S-2 MolecularWeight: 336.28541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C7H16N2O4S.C2HF3O2/c1-2-3-4-14(12,13)9-6(5-8)7(10)11;3-2(4,5)1(6)7/h6,9H,2-5,8H2,1H3,(H,10,11);(H,6,7)/p-2