benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; terephthalic acid

Systemtic Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; terephthalic acid Openeye Name: benzene-1,3-diamine; isophthalic acid; terephthalic acid CAS Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; terephthalic acid IUPAC Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; terephthalic acid Traditional Name: isophthalic acid; m-phenylenediamine; terephthalic acid Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.C6H8N2/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;7-5-2-1-3-6(8)4-5/h2*1-4H,(H,9,10)(H,11,12);1-4H,7-8H2