1-(carboxymethyl)imidazole-4-carboxylic acid; hexane

Systemtic Name: 1-(carboxymethyl)imidazole-4-carboxylic acid; hexane Openeye Name: 1-(carboxymethyl)imidazole-4-carboxylic acid; hexane CAS Name: 1-(carboxymethyl)-4-imidazolecarboxylic acid; hexane IUPAC Name: 1-(carboxymethyl)imidazole-4-carboxylic acid; hexane Traditional Name: 1-(carboxymethyl)imidazole-4-carboxylic acid; n-hexane Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C1=C(N=CN1CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC.C1=C(N=CN1CC(=O)O)C(=O)O

InChI

InChI=1S/C6H6N2O4.C6H14/c9-5(10)2-8-1-4(6(11)12)7-3-8;1-3-5-6-4-2/h1,3H,2H2,(H,9,10)(H,11,12);3-6H2,1-2H3