52B
Summary
| Name: | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid |
| Formula: | C11 H5 Cl2 F3 O3 |
| Formal charge: | 0 |
| Formula weight: | 313.057 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1C(F)(F)F |
| SMILES | CACTVS | 3.352 | OC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[CH]1C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cc(c2c1C=C(C(O2)C(F)(F)F)C(=O)O)Cl)Cl |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | ZFKBWSREWJOSSJ-VIFPVBQESA-N |
