benzene-1,3-dicarboxylate; ethane-1,2-diol; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylate; ethane-1,2-diol; terephthalic acid Openeye Name: benzene-1,3-dicarboxylate; ethylene glycol; terephthalic acid CAS Name: benzene-1,3-dicarboxylate; ethane-1,2-diol; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylate; ethane-1,2-diol; terephthalic acid Traditional Name: ethylene glycol; isophthalate; terephthalic acid Formula: C18H16O10-2 MolecularWeight: 392.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O

InChI

InChI=1S/2C8H6O4.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;3-1-2-4/h2*1-4H,(H,9,10)(H,11,12);3-4H,1-2H2/p-2