7QE
Summary
| Name: | (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid |
| Formula: | C3 H2 F3 N O3 |
| Formal charge: | 0 |
| Formula weight: | 157.048 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{Z})-3,3,3-tris(fluoranyl)-2-hydroxyimino-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)C(=N\O)/C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C3H2F3NO3/c4-3(5,6)1(7-10)2(8)9/h10H,(H,8,9)/b7-1- |
| InChIKey | InChI | 1.03 | ABQHLJFPKHMBRJ-XFSBKJJWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O\N=C(\C(O)=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | ON=C(C(O)=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(=N/O)(\C(=O)O)/C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(=NO)(C(=O)O)C(F)(F)F |
