EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H27O3S |
| Net Charge | +1 |
| Average Mass | 323.478 |
| Monoisotopic Mass | 323.16754 |
| SMILES | C[S+](C)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1 |
| InChI | InChI=1S/C18H27O3S/c1-22(2)14-13-21-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,20H,4,7-8,11-14H2,1-2H3/q+1 |
| InChIKey | PMFZALLSVLZXMR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oxysonium (CHEBI:135380) is a benzenes (CHEBI:22712) |
| Synonyms | Source |
|---|---|
| hydroxythiospasmin | DrugCentral |
| oxysonium iodide | DrugCentral |
| Manual Xrefs | Databases |
|---|---|
| 2040 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:3569-58-2 | DrugCentral |