17D
Summary
| Name: | 2-benzylbenzoic acid |
| Formula: | C14 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-benzylbenzoic acid |
| OpenEye OEToolkits | 1.7.0 | 2-(phenylmethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccccc1Cc2ccccc2 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccccc1Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Cc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Cc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) |
| InChIKey | InChI | 1.03 | FESDHLLVLYZNFY-UHFFFAOYSA-N |
