OAF
Summary
| Name: | 2,2-difluoro-3,3-dihydroxybutanedioic acid |
| Formula: | C4 H4 F2 O6 |
| Formal charge: | 0 |
| Formula weight: | 186.068 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,2-difluoro-3,3-dihydroxybutanedioic acid |
| OpenEye OEToolkits | 1.5.0 | 2,2-difluoro-3,3-dihydroxy-butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(C(=O)O)C(O)(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(O)(O)C(F)(F)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(O)(O)C(F)(F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(=O)(C(C(C(=O)O)(F)F)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(=O)(C(C(C(=O)O)(F)F)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H4F2O6/c5-3(6,1(7)8)4(11,12)2(9)10/h11-12H,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | PNUBNHHFDUCRFW-UHFFFAOYSA-N |
