0CN
Summary
| Name: | buta-2,3-dien-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 | buta-2,3-dien-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | buta-2,3-dienyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OC\C=C=C)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h3H,1,4H2,(H,8,9)(H2,5,6,7) |
| InChIKey | InChI | 1.03 | SBJIRHJBHHXSDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)O[P](O)(=O)OC[CH]=[C]=[CH2] |
| SMILES | CACTVS | 3.370 | O[P](O)(=O)O[P](O)(=O)OC[CH]=[C]=[CH2] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=C=CCOP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=C=CCOP(=O)(O)OP(=O)(O)O |
