A1H27
Summary
| Name: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid |
| Formula: | C13 H12 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 284.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12N6O2/c1-18-6-11(14-16-18)8-3-9(5-10(4-8)13(20)21)12-7-19(2)17-15-12/h3-7H,1-2H3,(H,20,21) |
| InChIKey | InChI | 1.06 | PDMVDNGDJJRIED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nn1)c2cc(cc(c2)c3cn(C)nn3)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cc(nn1)c2cc(cc(c2)c3cn(C)nn3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C |
