QVT
Summary
| Name: | 4-ethyl-2-oxoglutarate |
| Synonyms: | (2~{S})-2-ethyl-4-oxidanylidene-pentanedioic acid |
| Formula: | C7 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 174.151 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-ethyl-4-oxidanylidene-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H10O5/c1-2-4(6(9)10)3-5(8)7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | RLMBQTSJQCNDCM-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](CC(=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](CC(=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](CC(=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC(=O)C(=O)O)C(=O)O |
