EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:94220 - 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester
| Formula | C16H15NO7S2 |
| Net Charge | 0 |
| Average Mass | 397.430 |
| Monoisotopic Mass | 397.02899 |
| SMILES | CS(=O)(=O)c1ccc(S(=O)CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 |
| InChI | InChI=1S/C16H15NO7S2/c1-26(22,23)13-7-8-15(14(9-13)17(19)20)25(21)11-16(18)24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3 |
| InChIKey | HOPVGZYLIFZCOP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester (CHEBI:94220) has functional parent benzyl alcohol (CHEBI:17987) |
| 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester (CHEBI:94220) is a carboxylic ester (CHEBI:33308) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4843 | LINCS |