3QK
Summary
| Name: | trihydroxy(octyl)borate(1-) |
| Formula: | C8 H20 B O3 |
| Formal charge: | -1 |
| Formula weight: | 175.054 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trihydroxy(octyl)borate(1-) |
| OpenEye OEToolkits | 1.9.2 | octyl-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O[B-](O)(O)CCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C8H20BO3/c1-2-3-4-5-6-7-8-9(10,11)12/h10-12H,2-8H2,1H3/q-1 |
| InChIKey | InChI | 1.03 | UFILDBLRNSLDDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC[B-](O)(O)O |
| SMILES | CACTVS | 3.385 | CCCCCCCC[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [B-](CCCCCCCC)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | [B-](CCCCCCCC)(O)(O)O |
