EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H4O6 |
| Net Charge | -2 |
| Average Mass | 208.125 |
| Monoisotopic Mass | 208.00189 |
| SMILES | O=C([O-])c1cc(C(=O)[O-])cc(C(=O)O)c1 |
| InChI | InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)/p-2 |
| InChIKey | QMKYBPDZANOJGF-UHFFFAOYSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| benzene-1,3,5-tricarboxylate(2−) (CHEBI:33060) is a tricarboxylic acid dianion (CHEBI:36300) |
| benzene-1,3,5-tricarboxylate(2−) (CHEBI:33060) is conjugate acid of benzene-1,3,5-tricarboxylate(3−) (CHEBI:33059) |
| benzene-1,3,5-tricarboxylate(2−) (CHEBI:33060) is conjugate base of benzene-1,3,5-tricarboxylate(1−) (CHEBI:33061) |
| Incoming Relation(s) |
| benzene-1,3,5-tricarboxylate(1−) (CHEBI:33061) is conjugate acid of benzene-1,3,5-tricarboxylate(2−) (CHEBI:33060) |
| benzene-1,3,5-tricarboxylate(3−) (CHEBI:33059) is conjugate base of benzene-1,3,5-tricarboxylate(2−) (CHEBI:33060) |
| IUPAC Name |
|---|
| 5-carboxybenzene-1,3-dicarboxylate |
| Synonym | Source |
|---|---|
| 5-carboxyisophthalate | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Gmelin:1610219 | Gmelin |