Chemical identification
Unique IdentifierRID00111
CAS identifier52315-07-8
PubChem identifier2912
DSSTox identifierDTXSID1023998
Molecular weight 416.304 g/mol
SMILES N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl
InChI InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
InChIKey InChIkey=KAATUXNTWXVJKI-UHFFFAOYSA-N

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

Chemical classification
Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Fatty Acyls
DISCLAIMER

ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.