Q3K
Summary
| Name: | Carborane closo-hexyl-sulfonamide |
| Formula: | C8 H14 B10 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 296.377 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/C8H14B10NO2S/c19-22(20,21)6-4-2-1-3-5-8-7-9(8)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h1-6H2,(H2,19,20,21) |
| InChIKey | InChI | 1.03 | BDVAUBUIUJMBTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)CCCCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)CCCCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N |
