benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol

Systemtic Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol Openeye Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; isophthalic acid; propane-1,2-diol CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol Traditional Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-quinone; isophthalic acid; propane-1,2-diol Formula: C20H28O11 MolecularWeight: 444.42972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O

Isomeric SMILES

CC(CO)O.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O

InChI

InChI=1S/C8H6O4.C5H12O2.C4H2O3.C3H8O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-5(2,3-6)4-7;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-4H,(H,9,10)(H,11,12);6-7H,3-4H2,1-2H3;1-2H;3-5H,2H2,1H3