OXS
Summary
| Name: | 2-OXALOSUCCINIC ACID |
| Formula: | C6 H6 O7 |
| Formal charge: | 0 |
| Formula weight: | 190.108 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-1-oxopropane-1,2,3-tricarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-oxopropane-1,2,3-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(C(=O)C(=O)O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C[C@H](C(O)=O)C(=O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C[CH](C(O)=O)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)C(=O)O)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | UFSCUAXLTRFIDC-REOHCLBHSA-N |
