benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; terephthalic acid Openeye Name: 2,2-dimethylpropane-1,3-diol; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; terephthalic acid Traditional Name: 2,2-dimethylpropane-1,3-diol; isophthalic acid; terephthalic acid Formula: C21H24O10 MolecularWeight: 436.40926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.C5H12O2/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;1-5(2,3-6)4-7/h2*1-4H,(H,9,10)(H,11,12);6-7H,3-4H2,1-2H3