PDB CCD ID: | 52B |
Number of entries in BioLiP: | 4 |
Chemical formula: | C11 H5 Cl2 F3 O3 |
InChI: | InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)/t9-/m0/s1 |
InChIKey: | ZFKBWSREWJOSSJ-VIFPVBQESA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | c1c(cc(c2c1C=C(C(O2)C(F)(F)F)C(=O)O)Cl)Cl | CACTVS 3.352 | OC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[CH]1C(F)(F)F | OpenEye OEToolkits 1.7.0 | c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl | CACTVS 3.352 | OC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1C(F)(F)F |
|
Name: | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid |
ChEMBL: | CHEMBL1230348 |
ZINC: | ZINC000003975277 |