Q3H
Summary
| Name: | Carborane nido-hexyl-sulfonamide |
| Formula: | C8 H14 B9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 285.566 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14B9NO2S/c18-21(19,20)6-4-2-1-3-5-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h1-6H2,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | ZJMKFWIYZXXSSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)CCCCCC[C+]123[B-]45[B-]67[B+]89[C@@]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)CCCCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N |
