2-(4-carboxy-1-ethyl-imidazol-1-ium-1-yl)ethanoate; hexane

Systemtic Name: 2-(4-carboxy-1-ethyl-imidazol-1-ium-1-yl)ethanoate; hexane Openeye Name: 2-(4-carboxy-1-ethyl-imidazol-1-ium-1-yl)acetate; hexane CAS Name: 2-(4-carboxy-1-ethyl-1-imidazol-1-iumyl)acetate; hexane IUPAC Name: 2-(4-carboxy-1-ethylimidazol-1-ium-1-yl)acetate; hexane Traditional Name: 2-(4-carboxy-1-ethyl-imidazol-1-ium-1-yl)acetate; n-hexane Formula: C14H24N2O4 MolecularWeight: 284.35136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC[N+]1(C=C(N=C1)C(=O)O)CC(=O)[O-]

Isomeric SMILES

CCCCCC.CC[N+]1(C=C(N=C1)C(=O)O)CC(=O)[O-]

InChI

InChI=1S/C8H10N2O4.C6H14/c1-2-10(4-7(11)12)3-6(8(13)14)9-5-10;1-3-5-6-4-2/h3,5H,2,4H2,1H3,(H-,11,12,13,14);3-6H2,1-2H3