OXC
Summary
| Name: | OXONIC ACID |
| Formula: | C4 H5 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 159.1 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,6-dioxo-1,3,5-triazinane-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4,6-dioxo-1,3,5-triazinane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(C(=O)O)NC(=O)N1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C1NC(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.341 | OC(=O)C1NC(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1(NC(=O)NC(=O)N1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(NC(=O)NC(=O)N1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H5N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h1H,(H,8,9)(H3,5,6,7,10,11) |
| InChIKey | InChI | 1.03 | IRFZLMWJJPULRF-UHFFFAOYSA-N |
