EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H12ClNO4S |
| Net Charge | 0 |
| Average Mass | 265.718 |
| Monoisotopic Mass | 265.01756 |
| SMILES | NCC(O)(CS(=O)(=O)O)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15) |
| InChIKey | WBSMZVIMANOCNX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-amino-2-(4-chlorophenyl)-2-hydroxy-1-propanesulfonic acid (CHEBI:111179) is a organochlorine compound (CHEBI:36683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22635 | LINCS |