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

Systemtic Name: benzene-1,3-dicarboxylic acid; benzene-1,2-diol Openeye Name: benzene-1,2-diol; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; benzene-1,2-diol IUPAC Name: benzene-1,3-dicarboxylic acid; benzene-1,2-diol Traditional Name: isophthalic acid; pyrocatechol Formula: C14H12O6 MolecularWeight: 276.24148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C6H6O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-1-2-4-6(5)8/h1-4H,(H,9,10)(H,11,12);1-4,7-8H