A1MHO
Summary
| Name: | 3,5-di~{tert}-butylbenzene-1,2-diol |
| Formula: | C14 H22 O2 |
| Formal charge: | 0 |
| Formula weight: | 222.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-di~{tert}-butylbenzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3 |
| InChIKey | InChI | 1.06 | PJZLSMMERMMQBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1cc(O)c(O)c(c1)C(C)(C)C |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1cc(O)c(O)c(c1)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(c(c1)O)O)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(c(c1)O)O)C(C)(C)C |
