bis(16-methylheptadecyl) 2-(benzimidazol-2-ylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate

Systemtic Name: bis(16-methylheptadecyl) 2-(benzimidazol-2-ylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate Openeye Name: bis(16-methylheptadecyl) 2-(benzimidazol-2-ylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate CAS Name: 2-(2-benzimidazolylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylic acid bis(16-methylheptadecyl) ester IUPAC Name: bis(16-methylheptadecyl) 2-(benzimidazol-2-ylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate Traditional Name: 2-(benzimidazol-2-ylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylic acid bis(16-methylheptadecyl) ester Formula: C56H93N4O4+ MolecularWeight: 886.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)[N+]1(C2=CC(C(C=C2NC1=C3N=C4C=CC=CC4=N3)(C)C)(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)[N+]1(C2=CC(C(C=C2NC1=C3N=C4C=CC=CC4=N3)(C)C)(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C56H93N4O4/c1-45(2)37-31-27-23-19-15-11-9-13-17-21-25-29-35-41-63-53(61)60(54(62)64-42-36-30-26-22-18-14-10-12-16-20-24-28-32-38-46(3)4)50-44-56(7,8)55(5,6)43-49(50)59-52(60)51-57-47-39-33-34-40-48(47)58-51/h33-34,39-40,43-46,59H,9-32,35-38,41-42H2,1-8H3/q+1