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 |