WNR
Summary
| Name: | 3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid |
| Formula: | C20 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 304.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-[(2-phenylphenoxy)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(COc2ccccc2c2ccccc2)c1 |
| InChI | InChI | 1.06 | InChI=1S/C20H16O3/c21-20(22)17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)16-8-2-1-3-9-16/h1-13H,14H2,(H,21,22) |
| InChIKey | InChI | 1.06 | HNMWSWXILWCSMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(COc2ccccc2c3ccccc3)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(COc2ccccc2c3ccccc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccccc2OCc3cccc(c3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccccc2OCc3cccc(c3)C(=O)O |
