triethyl-(3-oxidanylidene-1H-2-benzofuran-1-yl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: triethyl-(3-oxidanylidene-1H-2-benzofuran-1-yl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: triethyl-(3-oxo-1H-isobenzofuran-1-yl)ammonium; 2,2,2-trifluoroacetate CAS Name: triethyl-(3-oxo-1H-isobenzofuran-1-yl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: triethyl-(3-oxo-1H-2-benzofuran-1-yl)azanium; 2,2,2-trifluoroacetate Traditional Name: triethyl(phthalidyl)ammonium; 2,2,2-trifluoroacetate Formula: C16H20F3NO4 MolecularWeight: 347.32951

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)C1C2=CC=CC=C2C(=O)O1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC[N+](CC)(CC)C1C2=CC=CC=C2C(=O)O1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C14H20NO2.C2HF3O2/c1-4-15(5-2,6-3)13-11-9-7-8-10-12(11)14(16)17-13;3-2(4,5)1(6)7/h7-10,13H,4-6H2,1-3H3;(H,6,7)/q+1;/p-1