benzene-1,3-dicarboxylic acid; butane-1,4-diol; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; terephthalic acid Openeye Name: butane-1,4-diol; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; terephthalic acid Traditional Name: butane-1,4-diol; isophthalic acid; terephthalic acid Formula: C20H22O10 MolecularWeight: 422.38268

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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(CCO)CO

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.C4H10O2/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;5-3-1-2-4-6/h2*1-4H,(H,9,10)(H,11,12);5-6H,1-4H2