ZNS
Summary
| Name: | 4-oxo-4-(phosphonooxy)butanoic acid |
| Formula: | C4 H7 O7 P |
| Formal charge: | 0 |
| Formula weight: | 198.068 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-oxo-4-(phosphonooxy)butanoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanylidene-4-phosphonooxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OC(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10) |
| InChIKey | InChI | 1.03 | NCRLTRUGOQIEKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC(=O)OP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(=O)OP(=O)(O)O)C(=O)O |
