benzene-1,3-dicarboxylic acid; 3-(2-hydroxyethyloxy)butane-1,2,4-triol; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 3-(2-hydroxyethyloxy)butane-1,2,4-triol; terephthalic acid Openeye Name: 3-(2-hydroxyethoxy)butane-1,2,4-triol; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 3-(2-hydroxyethoxy)butane-1,2,4-triol; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 3-(2-hydroxyethoxy)butane-1,2,4-triol; terephthalic acid Traditional Name: 3-(2-hydroxyethoxy)butane-1,2,4-triol; isophthalic acid; terephthalic acid Formula: C22H26O13 MolecularWeight: 498.43404

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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(COC(CO)C(CO)O)O

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.C6H14O5/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;7-1-2-11-6(4-9)5(10)3-8/h2*1-4H,(H,9,10)(H,11,12);5-10H,1-4H2