EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13ClN2O4S |
| Net Charge | 0 |
| Average Mass | 352.799 |
| Monoisotopic Mass | 352.02846 |
| SMILES | O=C(CSCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O |
| InChI | InChI=1S/C15H13ClN2O4S/c16-11-3-1-10(2-4-11)8-23-9-15(20)17-13-7-12(18(21)22)5-6-14(13)19/h1-7,19H,8-9H2,(H,17,20) |
| InChIKey | XLDYRTAPKQIASS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide (CHEBI:105227) is a nitrophenol (CHEBI:25562) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16590 | LINCS |