8HL
Summary
| Name: | 2-heptyl-4,6-bis(oxidanyl)benzoic acid |
| Formula: | C14 H20 O4 |
| Formal charge: | 0 |
| Formula weight: | 252.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-heptyl-4,6-bis(oxidanyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-11(15)9-12(16)13(10)14(17)18/h8-9,15-16H,2-7H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | XUWGCDWPOGIQII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCc1cc(O)cc(O)c1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCc1cc(O)cc(O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCc1cc(cc(c1C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCc1cc(cc(c1C(=O)O)O)O |
