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

Systemtic Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol Openeye Name: butane-1,4-diol; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol IUPAC Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol Traditional Name: butane-1,4-diol; isophthalic acid Formula: C12H16O6 MolecularWeight: 256.25184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C4H10O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;5-3-1-2-4-6/h1-4H,(H,9,10)(H,11,12);5-6H,1-4H2