A8J
Summary
| Name: | tert-butyl 3-ethanoylbenzoate |
| Synonyms: | 317829-73-5 |
| Formula: | C13 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl 3-ethanoylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16O3/c1-9(14)10-6-5-7-11(8-10)12(15)16-13(2,3)4/h5-8H,1-4H3 |
| InChIKey | InChI | 1.06 | YESSMNWGVXXGJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cccc(c1)C(=O)OC(C)(C)C |
| SMILES | CACTVS | 3.385 | CC(=O)c1cccc(c1)C(=O)OC(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cccc(c1)C(=O)OC(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cccc(c1)C(=O)OC(C)(C)C |
