ethanedioate; ethanedioic acid; 3-[12-(1H-imidazol-3-ium-3-yl)dodecyl]-1H-imidazol-3-ium

Systemtic Name: ethanedioate; ethanedioic acid; 3-[12-(1H-imidazol-3-ium-3-yl)dodecyl]-1H-imidazol-3-ium Openeye Name: 3-[12-(1H-imidazol-3-ium-3-yl)dodecyl]-1H-imidazol-3-ium; oxalate; oxalic acid CAS Name: 3-[12-(1H-imidazol-3-ium-3-yl)dodecyl]-1H-imidazol-3-ium; oxalate; oxalic acid IUPAC Name: 3-[12-(1H-imidazol-3-ium-3-yl)dodecyl]-1H-imidazol-3-ium; oxalate; oxalic acid Traditional Name: 3-[12-(1H-imidazol-3-ium-3-yl)dodecyl]-1H-imidazol-3-ium; oxalate; oxalic acid Formula: C22H34N4O8 MolecularWeight: 482.52736

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CN1)CCCCCCCCCCCC[N+]2=CNC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=C[N+](=CN1)CCCCCCCCCCCC[N+]2=CNC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H30N4.2C2H2O4/c1(3-5-7-9-13-21-15-11-19-17-21)2-4-6-8-10-14-22-16-12-20-18-22;2*3-1(4)2(5)6/h11-12,15-18H,1-10,13-14H2;2*(H,3,4)(H,5,6)