benzene-1,2,4-tricarboxylic acid; 2-(2-ethyl-4-methyl-1H-imidazol-3-ium-3-yl)propanenitrile

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 2-(2-ethyl-4-methyl-1H-imidazol-3-ium-3-yl)propanenitrile Openeye Name: benzene-1,2,4-tricarboxylic acid; 2-(2-ethyl-4-methyl-1H-imidazol-3-ium-3-yl)propanenitrile CAS Name: benzene-1,2,4-tricarboxylic acid; 2-(2-ethyl-4-methyl-1H-imidazol-3-ium-3-yl)propanenitrile IUPAC Name: benzene-1,2,4-tricarboxylic acid; 2-(2-ethyl-4-methyl-1H-imidazol-3-ium-3-yl)propanenitrile Traditional Name: 2-(2-ethyl-4-methyl-1H-imidazol-3-ium-3-yl)propionitrile; trimellitic acid Formula: C18H20N3O6+ MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=CN1)C)C(C)C#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=[N+](C(=CN1)C)C(C)C#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H13N3.C9H6O6/c1-4-9-11-6-8(3)12(9)7(2)5-10;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h6-7H,4H2,1-3H3;1-3H,(H,10,11)(H,12,13)(H,14,15)/p+1