1,1,2,4,4,5,5-heptakis-decylimidazol-1-ium ethanoate

Systemtic Name: 1,1,2,4,4,5,5-heptakis-decylimidazol-1-ium ethanoate Openeye Name: 1,1,2,4,4,5,5-heptakis-decylimidazol-1-ium acetate CAS Name: 1,1,2,4,4,5,5-heptakis-decylimidazol-1-ium acetate IUPAC Name: 1,1,2,4,4,5,5-heptakis-decylimidazol-1-ium acetate Traditional Name: 1,1,2,4,4,5,5-heptakis-decyl-2-imidazolin-1-ium acetate Formula: C75H150N2O2 MolecularWeight: 1112.0057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC(C([N+]1(CCCCCCCCCC)CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1=NC(C([N+]1(CCCCCCCCCC)CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C73H147N2.C2H4O2/c1-8-15-22-29-36-43-50-57-64-71-74-72(65-58-51-44-37-30-23-16-9-2,66-59-52-45-38-31-24-17-10-3)73(67-60-53-46-39-32-25-18-11-4,68-61-54-47-40-33-26-19-12-5)75(71,69-62-55-48-41-34-27-20-13-6)70-63-56-49-42-35-28-21-14-7;1-2(3)4/h8-70H2,1-7H3;1H3,(H,3,4)/q+1;/p-1