ITK
Summary
| Name: | [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid |
| Formula: | C16 H16 N3 O3 P |
| Formal charge: | 0 |
| Formula weight: | 329.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N3O3P/c1-12-5-7-14(8-6-12)16-10-19(18-17-16)15-4-2-3-13(9-15)11-23(20,21)22/h2-10H,11H2,1H3,(H2,20,21,22) |
| InChIKey | InChI | 1.06 | ANRCQAAGSXXUMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2cn(nn2)c3cccc(C[P](O)(O)=O)c3 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2cn(nn2)c3cccc(C[P](O)(O)=O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2cn(nn2)c3cccc(c3)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2cn(nn2)c3cccc(c3)CP(=O)(O)O |
