A8I
Summary
| Name: | 3-benzoylbenzoic acid |
| Synonyms: | 3-(phenylcarbonyl)benzoic acid benzophenone-3-carboxylic acid; 3-carboxybenzophenone |
| Formula: | C14 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 226.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(phenylcarbonyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17) |
| InChIKey | InChI | 1.06 | AXJXRLHTQQONQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)c2cccc(c2)C(=O)O |
