benzene-1,3-dicarboxylic acid; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid Openeye Name: ethylene glycol; glycerol; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid Traditional Name: ethylene glycol; glycerol; isophthalic acid; terephthalic acid Formula: C21H26O13 MolecularWeight: 486.42334

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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.C(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(CO)O.C(C(CO)O)O

InChI

InChI=1S/2C8H6O4.C3H8O3.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;4-1-3(6)2-5;3-1-2-4/h2*1-4H,(H,9,10)(H,11,12);3-6H,1-2H2;3-4H,1-2H2