A1EJQ
Summary
| Name: | ethyl (2~{R},3~{S})-3-methyl-3-phenyl-oxirane-2-carboxylate |
| Synonyms: | Ethyl methylphenylglycidate, (E)- trans-Ethyl 3-Methyl-3-phenylglycidate |
| Formula: | C12 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 206.238 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl (2~{R},3~{S})-3-methyl-3-phenyl-oxirane-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12-/m0/s1 |
| InChIKey | InChI | 1.06 | LQKRYVGRPXFFAV-JQWIXIFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H]1O[C@@]1(C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH]1O[C]1(C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@H]1[C@](O1)(C)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1C(O1)(C)c2ccccc2 |
