HE9
Summary
| Name: | methyl 3,4-bis(oxidanyl)benzoate |
| Formula: | C8 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 168.147 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 3,4-bis(oxidanyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3 |
| InChIKey | InChI | 1.03 | CUFLZUDASVUNOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)O)O |
