EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H10Cl2O4 |
| Net Charge | 0 |
| Average Mass | 277.103 |
| Monoisotopic Mass | 275.99561 |
| SMILES | COc1c(Cl)c2c(c(C(=O)O)c1Cl)C[C@H](C)O2 |
| InChI | InChI=1S/C11H10Cl2O4/c1-4-3-5-6(11(14)15)7(12)10(16-2)8(13)9(5)17-4/h4H,3H2,1-2H3,(H,14,15)/t4-/m0/s1 |
| InChIKey | WNECTFDZTGEGFB-BYPYZUCNSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-5,7-dichloro-6-methoxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid (CHEBI:209851) is a methoxybenzoic acid (CHEBI:25238) |
| IUPAC Name |
|---|
| (2S)-5,7-dichloro-6-methoxy-2-methyl-2,3-dihydro-1-benzouran-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443518 | ChemSpider |