benzene-1,2,4-tricarboxylic acid; cyclohexanecarboxamide

Systemtic Name: benzene-1,2,4-tricarboxylic acid; cyclohexanecarboxamide Openeye Name: benzene-1,2,4-tricarboxylic acid; cyclohexanecarboxamide CAS Name: benzene-1,2,4-tricarboxylic acid; cyclohexanecarboxamide IUPAC Name: benzene-1,2,4-tricarboxylic acid; cyclohexanecarboxamide Traditional Name: cyclohexanecarboxamide; trimellitic acid Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6.C7H13NO/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;8-7(9)6-4-2-1-3-5-6/h1-3H,(H,10,11)(H,12,13)(H,14,15);6H,1-5H2,(H2,8,9)