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

Systemtic Name: 2-butyl-1H-imidazole-4,5-dicarboxylic acid Openeye Name: 2-butyl-1H-imidazole-4,5-dicarboxylic acid CAS Name: 2-butyl-1H-imidazole-4,5-dicarboxylic acid IUPAC Name: 2-butyl-1H-imidazole-4,5-dicarboxylic acid Traditional Name: 2-butyl-1H-imidazole-4,5-dicarboxylic acid Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H12N2O4/c1-2-3-4-5-10-6(8(12)13)7(11-5)9(14)15/h2-4H2,1H3,(H,10,11)(H,12,13)(H,14,15)