2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-diethyl-(phosphonooxymethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-diethyl-(phosphonooxymethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-(phosphonooxymethyl)ammonium; 2,2,2-trifluoroacetate CAS Name: 2-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]ethyl-diethyl-(phosphonooxymethyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethyl-(phosphonooxymethyl)azanium; 2,2,2-trifluoroacetate Traditional Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-(phosphonooxymethyl)ammonium; 2,2,2-trifluoroacetate Formula: C28H33F3I2NO9P MolecularWeight: 869.340831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[N+](CC)(CC)COP(=O)(O)O)I.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[N+](CC)(CC)COP(=O)(O)O)I.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C26H32I2NO7P.C2HF3O2/c1-4-7-11-23-24(19-10-8-9-12-22(19)36-23)25(30)18-15-20(27)26(21(28)16-18)34-14-13-29(5-2,6-3)17-35-37(31,32)33;3-2(4,5)1(6)7/h8-10,12,15-16H,4-7,11,13-14,17H2,1-3H3,(H-,31,32,33);(H,6,7)