bis(trifluoromethylsulfonyl)azanide; 1-butyl-4-[3,3,3-tris(fluoranyl)propyl]-1,2,4-triazol-4-ium

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-4-[3,3,3-tris(fluoranyl)propyl]-1,2,4-triazol-4-ium Openeye Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium CAS Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium Traditional Name: 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium; ditriflylazanide Formula: C11H15F9N4O4S2 MolecularWeight: 502.376829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C=N1)CCC(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCN1C=[N+](C=N1)CCC(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H15F3N3.C2F6NO4S2/c1-2-3-5-15-8-14(7-13-15)6-4-9(10,11)12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,2-6H2,1H3;/q+1;-1