R35
Summary
| Name: | (2R)-2-tert-butylbutanedioic acid |
| Formula: | C8 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-tert-butylbutanedioic acid |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-tert-butylbutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CC(=O)O)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)(C)[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)[C@@H](CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)C(CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | YWCIQVCLMJYZBD-YFKPBYRVSA-N |
