ITV
Summary
| Name: | [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid |
| Formula: | C15 H14 N3 O3 P |
| Formal charge: | 0 |
| Formula weight: | 315.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H14N3O3P/c19-22(20,21)11-13-8-4-5-9-15(13)18-10-14(16-17-18)12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,20,21) |
| InChIKey | InChI | 1.06 | XWMIAAPWEKOACK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)Cc1ccccc1n2cc(nn2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)Cc1ccccc1n2cc(nn2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cn(nn2)c3ccccc3CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cn(nn2)c3ccccc3CP(=O)(O)O |
