2-hexyl-1H-imidazole-4,5-dicarboxylic acid

Systemtic Name: 2-hexyl-1H-imidazole-4,5-dicarboxylic acid Openeye Name: 2-hexyl-1H-imidazole-4,5-dicarboxylic acid CAS Name: 2-hexyl-1H-imidazole-4,5-dicarboxylic acid IUPAC Name: 2-hexyl-1H-imidazole-4,5-dicarboxylic acid Traditional Name: 2-hexyl-1H-imidazole-4,5-dicarboxylic acid Formula: C11H16N2O4 MolecularWeight: 240.25574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C(N1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1=NC(=C(N1)C(=O)O)C(=O)O

InChI

InChI=1S/C11H16N2O4/c1-2-3-4-5-6-7-12-8(10(14)15)9(13-7)11(16)17/h2-6H2,1H3,(H,12,13)(H,14,15)(H,16,17)