CJE
Summary
| Name: | ethyl (2~{R})-2-methyl-3-oxidanylidene-butanoate |
| Formula: | C7 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 144.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl (2~{R})-2-methyl-3-oxidanylidene-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | FNENWZWNOPCZGK-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@H](C)C(C)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](C)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)[C@H](C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C(C)C(=O)C |
