bis(8-methylnonyl) 2-(benzimidazol-2-ylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate

Systemtic Name: bis(8-methylnonyl) 2-(benzimidazol-2-ylidene)-5,5,6,6-tetramethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate Openeye Name: bis(8-methylnonyl) 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(8-methylnonyl) ester IUPAC Name: bis(8-methylnonyl) 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(8-methylnonyl) ester Formula: C40H61N4O4+ MolecularWeight: 661.93674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H61N4O4/c1-29(2)21-15-11-9-13-19-25-47-37(45)44(38(46)48-26-20-14-10-12-16-22-30(3)4)34-28-40(7,8)39(5,6)27-33(34)43-36(44)35-41-31-23-17-18-24-32(31)42-35/h17-18,23-24,27-30,43H,9-16,19-22,25-26H2,1-8H3/q+1