bis(8-methylnonyl) 2-(benzimidazol-2-ylidene)-4,5-dimethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate

Systemtic Name: bis(8-methylnonyl) 2-(benzimidazol-2-ylidene)-4,5-dimethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate Openeye Name: bis(8-methylnonyl) 2-(benzimidazol-2-ylidene)-4,5-dimethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate CAS Name: 2-(2-benzimidazolylidene)-4,5-dimethyl-3H-benzimidazol-1-ium-1,1-dicarboxylic acid bis(8-methylnonyl) ester IUPAC Name: bis(8-methylnonyl) 2-(benzimidazol-2-ylidene)-4,5-dimethyl-3H-benzimidazol-1-ium-1,1-dicarboxylate Traditional Name: 2-(benzimidazol-2-ylidene)-4,5-dimethyl-3H-benzimidazol-1-ium-1,1-dicarboxylic acid bis(8-methylnonyl) ester Formula: C38H55N4O4+ MolecularWeight: 631.8677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)[N+](C(=C3N=C4C=CC=CC4=N3)N2)(C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)[N+](C(=C3N=C4C=CC=CC4=N3)N2)(C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)C

InChI

InChI=1S/C38H55N4O4/c1-27(2)19-13-9-7-11-17-25-45-37(43)42(38(44)46-26-18-12-8-10-14-20-28(3)4)33-24-23-29(5)30(6)34(33)41-36(42)35-39-31-21-15-16-22-32(31)40-35/h15-16,21-24,27-28,41H,7-14,17-20,25-26H2,1-6H3/q+1