A1ESU
Summary
| Name: | 2-butoxycarbonylbenzoic acid |
| Formula: | C12 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 222.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-butoxycarbonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | YZBOVSFWWNVKRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOC(=O)c1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCOC(=O)c1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOC(=O)c1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOC(=O)c1ccccc1C(=O)O |
