6JN
Summary
| Name: | 3-oxopentanedioic acid |
| Formula: | C5 H6 O5 |
| Formal charge: | 0 |
| Formula weight: | 146.098 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-oxopentanedioic acid |
| OpenEye OEToolkits | 2.0.4 | 3-oxidanylidenepentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(=O)O)C(CC(O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC(=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C(C(=O)CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(C(=O)CC(=O)O)C(=O)O |
