bis(trifluoromethylsulfonyl)azanide; 1,3-dibutyl-2-(1,3-dibutylimidazole-1,3-diium-2-ylidene)imidazole

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 1,3-dibutyl-2-(1,3-dibutylimidazole-1,3-diium-2-ylidene)imidazole Openeye Name: bis(trifluoromethylsulfonyl)azanide; 1,3-dibutyl-2-(1,3-dibutylimidazole-1,3-diium-2-ylidene)imidazole CAS Name: bis(trifluoromethylsulfonyl)azanide; 1,3-dibutyl-2-(1,3-dibutyl-2-imidazole-1,3-diiumylidene)imidazole IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 1,3-dibutyl-2-(1,3-dibutylimidazole-1,3-diium-2-ylidene)imidazole Traditional Name: 1,3-dibutyl-2-(1,3-dibutylimidazole-1,3-diium-2-ylidene)-4-imidazoline; ditriflylazanide Formula: C26H40F12N6O8S4 MolecularWeight: 920.872038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN(C1=C2[N+](=CC=[N+]2CCCC)CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCN1C=CN(C1=C2[N+](=CC=[N+]2CCCC)CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H40N4.2C2F6NO4S2/c1-5-9-13-23-17-18-24(14-10-6-2)21(23)22-25(15-11-7-3)19-20-26(22)16-12-8-4;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h17-20H,5-16H2,1-4H3;;/q+2;2*-1