QD8
Summary
| Name: | (S)-3-butyl-2-oxopentanedioic acid |
| Synonyms: | (3~{S})-3-butyl-2-oxidanylidene-pentanedioic acid |
| Formula: | C9 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 202.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-3-butyl-2-oxidanylidene-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H14O5/c1-2-3-4-6(5-7(10)11)8(12)9(13)14/h6H,2-5H2,1H3,(H,10,11)(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | RVKQLIHFWCFUHE-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@@H](CC(O)=O)C(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH](CC(O)=O)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCC[C@@H](CC(=O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCC(CC(=O)O)C(=O)C(=O)O |
