XKH
Summary
| Name: | (2R,3S)-2,3-dimethylbutanedioic acid |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S)-2,3-dimethylbutanedioic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-2,3-dimethylbutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(C)C(C)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/t3-,4+ |
| InChIKey | InChI | 1.06 | KLZYRCVPDWTZLH-ZXZARUISSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]([C@H](C)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]([CH](C)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@H](C)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C)C(=O)O)C(=O)O |
