EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:105406 - 2-[(2-nitrophenyl)thio]-1-cyclooctanone
| Formula | C14H17NO3S |
| Net Charge | 0 |
| Average Mass | 279.361 |
| Monoisotopic Mass | 279.09291 |
| SMILES | O=C1CCCCCCC1Sc1ccccc1[N+](=O)[O-] |
| InChI | InChI=1S/C14H17NO3S/c16-12-8-3-1-2-4-10-14(12)19-13-9-6-5-7-11(13)15(17)18/h5-7,9,14H,1-4,8,10H2 |
| InChIKey | DURJJDLFRHUNEU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2-nitrophenyl)thio]-1-cyclooctanone (CHEBI:105406) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16769 | LINCS |