EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22O7S |
| Net Charge | 0 |
| Average Mass | 310.368 |
| Monoisotopic Mass | 310.10862 |
| SMILES | CCCCOC(=O)C[C@@H](C(=O)OCCCC)S(=O)(=O)O |
| InChI | InChI=1S/C12H22O7S/c1-3-5-7-18-11(13)9-10(20(15,16)17)12(14)19-8-6-4-2/h10H,3-9H2,1-2H3,(H,15,16,17)/t10-/m0/s1 |
| InChIKey | YPDHMBTYUUZFOA-JTQLQIEISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dibutyl sulfosuccinate (CHEBI:233899) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| 1,4-dibutoxy-1,4-dioxobutane-2-sulonic acid |
| Manual Xrefs | Databases |
|---|---|
| 375186 | ChemSpider |
| HMDB0242124 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:120-96-7 | ChemIDplus |