ROQ
Summary
| Name: | (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid |
| Formula: | C6 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 160.125 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H8O5/c1-3(2-4(7)8)5(9)6(10)11/h3H,2H2,1H3,(H,7,8)(H,10,11)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | BJQIUPTURRAODO-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CC(O)=O)C(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CC(O)=O)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CC(=O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(=O)O)C(=O)C(=O)O |
