2-[4-[[2-butyl-1-(1-hexyl-1-methyl-benzimidazol-1-ium-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(1-hexyl-1-methyl-benzimidazol-1-ium-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(1-hexyl-1-methyl-benzimidazol-1-ium-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(1-hexyl-1-methyl-2-benzimidazol-1-iumyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(1-hexyl-1-methylbenzimidazol-1-ium-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(1-hexyl-1-methyl-benzimidazol-1-ium-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C39H44N4O2+2 MolecularWeight: 600.79226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C2=CC=CC=C2N=C1[N+]3(C4=CC=CC=C4N=C3CCCC)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O)C

Isomeric SMILES

CCCCCC[N+]1(C2=CC=CC=C2N=C1[N+]3(C4=CC=CC=C4N=C3CCCC)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O)C

InChI

InChI=1S/C39H43N4O2/c1-4-6-8-15-27-42(3)35-20-13-11-18-33(35)41-39(42)43(36-21-14-12-19-34(36)40-37(43)22-7-5-2)28-29-23-25-30(26-24-29)31-16-9-10-17-32(31)38(44)45/h9-14,16-21,23-26H,4-8,15,22,27-28H2,1-3H3/q+1/p+1