7WR
Summary
| Name: | 3-methoxy-4,5-bis(oxidanyl)benzoic acid |
| Formula: | C8 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 184.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-methoxy-4,5-bis(oxidanyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | KWCCUYSXAYTNKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(O)c1O)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(cc(O)c1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(cc(c1O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(cc(c1O)O)C(=O)O |
