QDB
Summary
| Name: | 4-benzoylbenzoic acid |
| Formula: | C14 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 226.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-benzoylbenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(phenylcarbonyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(cc1)C(=O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17) |
| InChIKey | InChI | 1.03 | IFQUPKAISSPFTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O |
