3QJ
Summary
| Name: | hexyl(trihydroxy)borate(1-) |
| Formula: | C6 H16 B O3 |
| Formal charge: | -1 |
| Formula weight: | 147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | hexyl(trihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.9.2 | hexyl-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O[B-](O)(O)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C6H16BO3/c1-2-3-4-5-6-7(8,9)10/h8-10H,2-6H2,1H3/q-1 |
| InChIKey | InChI | 1.03 | ZVNFLSCBVLLZCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[B-](O)(O)O |
| SMILES | CACTVS | 3.385 | CCCCCC[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [B-](CCCCCC)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | [B-](CCCCCC)(O)(O)O |
