8I6
Summary
| Name: | 2-nonyl-4,6-bis(oxidanyl)benzoic acid |
| Formula: | C16 H24 O4 |
| Formal charge: | 0 |
| Formula weight: | 280.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-nonyl-4,6-bis(oxidanyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20/h10-11,17-18H,2-9H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | PTAHKOJJUSGQFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCc1cc(O)cc(O)c1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCc1cc(O)cc(O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCc1cc(cc(c1C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCc1cc(cc(c1C(=O)O)O)O |
