EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H22ClNO2 |
| Net Charge | 0 |
| Average Mass | 283.799 |
| Monoisotopic Mass | 283.13391 |
| SMILES | CCc1cccc(C)c1N(C(=O)CCl)[C@H](C)COC |
| InChI | InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m1/s1 |
| InChIKey | WVQBLGZPHOPPFO-GFCCVEGCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-metolachlor (CHEBI:83646) is a 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide (CHEBI:83645) |
| (R)-metolachlor (CHEBI:83646) is enantiomer of (S)-metolachlor (CHEBI:83647) |
| Incoming Relation(s) |
| metolachlor (CHEBI:6902) has part (R)-metolachlor (CHEBI:83646) |
| (S)-metolachlor (CHEBI:83647) is enantiomer of (R)-metolachlor (CHEBI:83646) |
| IUPAC Name |
|---|
| 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide |
| Manual Xrefs | Databases |
|---|---|
| s-metolachlor | Alan Wood's Pesticides |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5380713 | Reaxys |
| CAS:178961-20-1 | ChemIDplus |