bis(trifluoromethylsulfonyl)azanide; (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 4-iodanylbenzoate

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 4-iodanylbenzoate Openeye Name: bis(trifluoromethylsulfonyl)azanide; (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 4-iodobenzoate CAS Name: bis(trifluoromethylsulfonyl)azanide; 4-iodobenzoic acid (1-butyl-3-methyl-4-imidazol-1-iumyl)methyl ester IUPAC Name: bis(trifluoromethylsulfonyl)azanide; (1-butyl-3-methylimidazol-1-ium-4-yl)methyl 4-iodobenzoate Traditional Name: ditriflylazanide; 4-iodobenzoic acid (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl ester Formula: C18H20F6IN3O6S2 MolecularWeight: 679.392789

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C(=C1)COC(=O)C2=CC=C(C=C2)I)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC[N+]1=CN(C(=C1)COC(=O)C2=CC=C(C=C2)I)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H20IN2O2.C2F6NO4S2/c1-3-4-9-19-10-15(18(2)12-19)11-21-16(20)13-5-7-14(17)8-6-13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8,10,12H,3-4,9,11H2,1-2H3;/q+1;-1