83X
Summary
| Name: | 1-[2,4,6-tris(oxidanyl)phenyl]ethanone |
| Formula: | C8 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 168.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[2,4,6-tris(oxidanyl)phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3 |
| InChIKey | InChI | 1.03 | XLEYFDVVXLMULC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c(O)cc(O)cc1O |
| SMILES | CACTVS | 3.385 | CC(=O)c1c(O)cc(O)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(cc(cc1O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(cc(cc1O)O)O |
