HVO
Summary
| Name: | 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone |
| Synonyms: | 1-[4-(3-tert-Butyl-4-hydroxyphenoxy)phenyl]ethan-1-one |
| Formula: | C18 H20 O3 |
| Formal charge: | 0 |
| Formula weight: | 284.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(3-~{tert}-butyl-4-oxidanyl-phenoxy)phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20O3/c1-12(19)13-5-7-14(8-6-13)21-15-9-10-17(20)16(11-15)18(2,3)4/h5-11,20H,1-4H3 |
| InChIKey | InChI | 1.03 | WSVZSZVSZTYTCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O |
