EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:40937 - 4-TERT-BUTYLBENZENESULFONIC ACID
| Formula | C10H14O3S |
| Net Charge | 0 |
| Average Mass | 214.286 |
| Monoisotopic Mass | 214.06637 |
| SMILES | [H]OS(=O)(=O)c1c([H])c([H])c(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H] |
| InChI | InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13) |
| InChIKey | LZQMCUIWYRQLOG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-TERT-BUTYLBENZENESULFONIC ACID (CHEBI:40937) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 4-tert-butylbenzenesulfonic acid | PDBeChem |
| 4-TERT-BUTYLBENZENESULFONIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| BBS | PDBeChem |