SHU
Summary
| Name: | 4,6-DIOXOHEPTANOIC ACID |
| Synonyms: | SUCCINYLACETONE |
| Formula: | C7 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 158.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,6-dioxoheptanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4,6-dioxoheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CC(=O)C)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)CC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)CC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)CC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CC(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | WYEPBHZLDUPIOD-UHFFFAOYSA-N |
