EQA
Summary
| Name: | (2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid |
| Formula: | C10 H7 F O4 |
| Formal charge: | 0 |
| Formula weight: | 210.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-(2-fluorophenyl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(c1C([C@H]=C(C(O)=O)O)=O)F |
| InChI | InChI | 1.03 | InChI=1S/C10H7FO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5- |
| InChIKey | InChI | 1.03 | SLIWWQKPQONUEG-UITAMQMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C(O)=C\C(=O)c1ccccc1F |
| SMILES | CACTVS | 3.385 | OC(=O)C(O)=CC(=O)c1ccccc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F |
