bis(trifluoromethylsulfonyl)azanide; 1-[3-(4-iodanylphenoxy)propyl]-3-methyl-imidazol-3-ium

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 1-[3-(4-iodanylphenoxy)propyl]-3-methyl-imidazol-3-ium Openeye Name: bis(trifluoromethylsulfonyl)azanide; 1-[3-(4-iodophenoxy)propyl]-3-methyl-imidazol-3-ium CAS Name: bis(trifluoromethylsulfonyl)azanide; 1-[3-(4-iodophenoxy)propyl]-3-methylimidazol-3-ium IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 1-[3-(4-iodophenoxy)propyl]-3-methylimidazol-3-ium Traditional Name: ditriflylazanide; 1-[3-(4-iodophenoxy)propyl]-3-methyl-imidazol-3-ium Formula: C15H16F6IN3O5S2 MolecularWeight: 623.329529

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCOC2=CC=C(C=C2)I.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

C[N+]1=CN(C=C1)CCCOC2=CC=C(C=C2)I.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H16IN2O.C2F6NO4S2/c1-15-8-9-16(11-15)7-2-10-17-13-5-3-12(14)4-6-13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-6,8-9,11H,2,7,10H2,1H3;/q+1;-1