benzene-1,2,4-tricarboxylic acid; 2-ethylhexan-1-ol

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 2-ethylhexan-1-ol Openeye Name: benzene-1,2,4-tricarboxylic acid; 2-ethylhexan-1-ol CAS Name: benzene-1,2,4-tricarboxylic acid; 2-ethyl-1-hexanol IUPAC Name: benzene-1,2,4-tricarboxylic acid; 2-ethylhexan-1-ol Traditional Name: 2-ethylhexan-1-ol; trimellitic acid Formula: C17H24O7 MolecularWeight: 340.36826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O6.C8H18O/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-3-5-6-8(4-2)7-9/h1-3H,(H,10,11)(H,12,13)(H,14,15);8-9H,3-7H2,1-2H3