ethanedioate; 2-heptadecyl-1H-imidazol-1-ium

Systemtic Name: ethanedioate; 2-heptadecyl-1H-imidazol-1-ium Openeye Name: 2-heptadecyl-1H-imidazol-1-ium; oxalate CAS Name: 2-heptadecyl-1H-imidazol-1-ium; oxalate IUPAC Name: 2-heptadecyl-1H-imidazol-1-ium; oxalate Traditional Name: 2-heptadecyl-1H-imidazol-1-ium; oxalate Formula: C42H78N4O4 MolecularWeight: 703.09312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C20H38N2.C2H2O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;3-1(4)2(5)6/h2*18-19H,2-17H2,1H3,(H,21,22);(H,3,4)(H,5,6)