0K2
Summary
| Name: | 4-oxobutyl trihydrogen diphosphate |
| Formula: | C4 H10 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 248.065 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-oxobutyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | 4-oxidanylidenebutyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCCCC=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h3H,1-2,4H2,(H,9,10)(H2,6,7,8) |
| InChIKey | InChI | 1.03 | NNKWBPRTAQVCDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)O[P](O)(=O)OCCCC=O |
| SMILES | CACTVS | 3.370 | O[P](O)(=O)O[P](O)(=O)OCCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC=O)COP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC=O)COP(=O)(O)OP(=O)(O)O |
