benzene-1,2,4-tricarboxylic acid; ethane-1,2-diol

Systemtic Name: benzene-1,2,4-tricarboxylic acid; ethane-1,2-diol Openeye Name: benzene-1,2,4-tricarboxylic acid; ethylene glycol CAS Name: benzene-1,2,4-tricarboxylic acid; ethane-1,2-diol IUPAC Name: benzene-1,2,4-tricarboxylic acid; ethane-1,2-diol Traditional Name: ethylene glycol; trimellitic acid Formula: C13H18O10 MolecularWeight: 334.27602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O6.2C2H6O2/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;2*3-1-2-4/h1-3H,(H,10,11)(H,12,13)(H,14,15);2*3-4H,1-2H2