benzene-1,3-diamine; benzene-1,4-diamine; terephthalic acid

Systemtic Name: benzene-1,3-diamine; benzene-1,4-diamine; terephthalic acid Openeye Name: benzene-1,3-diamine; benzene-1,4-diamine; terephthalic acid CAS Name: benzene-1,3-diamine; benzene-1,4-diamine; terephthalic acid IUPAC Name: benzene-1,3-diamine; benzene-1,4-diamine; terephthalic acid Traditional Name: m-phenylenediamine; p-phenylenediamine; terephthalic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=CC=C1N)N

Isomeric SMILES

C1=CC(=CC(=C1)N)N.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=CC=C1N)N

InChI

InChI=1S/C8H6O4.2C6H8N2/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5/h1-4H,(H,9,10)(H,11,12);2*1-4H,7-8H2