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

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 2-ethylhexanamide Openeye Name: benzene-1,2,4-tricarboxylic acid; 2-ethylhexanamide CAS Name: benzene-1,2,4-tricarboxylic acid; 2-ethylhexanamide IUPAC Name: benzene-1,2,4-tricarboxylic acid; 2-ethylhexanamide Traditional Name: 2-ethylhexanamide; trimellitic acid Formula: C17H23NO7 MolecularWeight: 353.36702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6.C8H17NO/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-3-5-6-7(4-2)8(9)10/h1-3H,(H,10,11)(H,12,13)(H,14,15);7H,3-6H2,1-2H3,(H2,9,10)