OKG
Summary
| Name: | 4-peroxy-4-oxobutanoic acid |
| Formula: | C4 H5 O5 |
| Formal charge: | -1 |
| Formula weight: | 133.079 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-carboxypropanoyl)dioxidan-1-ide |
| OpenEye OEToolkits | 2.0.6 | 4-oxidanyl-4-oxidanylidene-butaneperoxoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CCC(=O)O[O-] |
| InChI | InChI | 1.03 | InChI=1S/C4H6O5/c5-3(6)1-2-4(7)9-8/h8H,1-2H2,(H,5,6)/p-1 |
| InChIKey | InChI | 1.03 | WBOQHFMXKCEWSQ-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)O[O-] |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)O[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CC(=O)O[O-])C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(=O)O[O-])C(=O)O |
