benzene-1,2,4-tricarboxylic acid; 2-(2-undecylimidazol-1-yl)propanenitrile

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 2-(2-undecylimidazol-1-yl)propanenitrile Openeye Name: benzene-1,2,4-tricarboxylic acid; 2-(2-undecylimidazol-1-yl)propanenitrile CAS Name: benzene-1,2,4-tricarboxylic acid; 2-(2-undecyl-1-imidazolyl)propanenitrile IUPAC Name: benzene-1,2,4-tricarboxylic acid; 2-(2-undecylimidazol-1-yl)propanenitrile Traditional Name: trimellitic acid; 2-(2-undecylimidazol-1-yl)propionitrile Formula: C26H35N3O6 MolecularWeight: 485.5726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=CN1C(C)C#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC1=NC=CN1C(C)C#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H29N3.C9H6O6/c1-3-4-5-6-7-8-9-10-11-12-17-19-13-14-20(17)16(2)15-18;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h13-14,16H,3-12H2,1-2H3;1-3H,(H,10,11)(H,12,13)(H,14,15)