4MX
Summary
| Name: | 2,4-bis(oxidanyl)-6-pentyl-benzoic acid |
| Formula: | C12 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 224.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2,4-bis(oxidanyl)-6-pentyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | SXFKFRRXJUJGSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1cc(O)cc(O)c1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCc1cc(O)cc(O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCCc1cc(cc(c1C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCCCc1cc(cc(c1C(=O)O)O)O |
