E7J
Summary
| Name: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
| Formula: | C12 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 238.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15) |
| InChIKey | InChI | 1.06 | QOBMQTZOKFYGNH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCCOC(=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCCCOC(=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)C(=O)OCCCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)C(=O)OCCCCO |
