TDH
Summary
| Name: | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol |
| Formula: | C14 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 253.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol |
| OpenEye OEToolkits | 1.7.6 | 4-[3-(4-hydroxyphenyl)-1,2,3-triazol-4-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2nn(c1ccc(O)cc1)c(c2)c3ccc(O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3O2/c18-12-5-1-10(2-6-12)14-9-15-16-17(14)11-3-7-13(19)8-4-11/h1-9,18-19H |
| InChIKey | InChI | 1.03 | VJAKQEJLSICLIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(cc1)n2nncc2c3ccc(O)cc3 |
| SMILES | CACTVS | 3.370 | Oc1ccc(cc1)n2nncc2c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cnnn2c3ccc(cc3)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cnnn2c3ccc(cc3)O)O |
