5,6-bis(carboxycarbonyl)benzene-1,2,3,4-tetracarboxylate; terephthalic acid

Systemtic Name: 5,6-bis(carboxycarbonyl)benzene-1,2,3,4-tetracarboxylate; terephthalic acid Openeye Name: 5,6-dioxalobenzene-1,2,3,4-tetracarboxylate; terephthalic acid CAS Name: 5,6-dioxalobenzene-1,2,3,4-tetracarboxylate; terephthalic acid IUPAC Name: 5,6-dioxalobenzene-1,2,3,4-tetracarboxylate; terephthalic acid Traditional Name: 5,6-dioxalobenzene-1,2,3,4-tetracarboxylate; terephthalic acid Formula: C22H8O18-4 MolecularWeight: 560.28812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(=O)O.C1(=C(C(=C(C(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)C(=O)O)C(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)O.C1(=C(C(=C(C(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)C(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C14H6O14.C8H6O4/c15-7(13(25)26)1-2(8(16)14(27)28)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;9-7(10)5-1-2-6(4-3-5)8(11)12/h(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28);1-4H,(H,9,10)(H,11,12)/p-4