0CM
Summary
| Name: | but-2-yn-1-yl trihydrogen diphosphate |
| Formula: | C4 H8 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 230.05 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | but-2-yn-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | but-2-ynyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCC#CC)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h4H2,1H3,(H,8,9)(H2,5,6,7) |
| InChIKey | InChI | 1.03 | MMKJTWNLJFDOFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC#CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC#CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC#CCOP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC#CCOP(=O)(O)OP(=O)(O)O |
