benzene-1,3-dicarboxylic acid; propane-1,2-diol

Systemtic Name: benzene-1,3-dicarboxylic acid; propane-1,2-diol Openeye Name: isophthalic acid; propane-1,2-diol CAS Name: benzene-1,3-dicarboxylic acid; propane-1,2-diol IUPAC Name: benzene-1,3-dicarboxylic acid; propane-1,2-diol Traditional Name: isophthalic acid; propane-1,2-diol Formula: C11H14O6 MolecularWeight: 242.22526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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