9EQ
Summary
| Name: | 1-[2,6-bis(oxidanyl)phenyl]ethanone |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[2,6-bis(oxidanyl)phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3 |
| InChIKey | InChI | 1.03 | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c(O)cccc1O |
| SMILES | CACTVS | 3.385 | CC(=O)c1c(O)cccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(cccc1O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(cccc1O)O |
