MYW
Summary
| Name: | Nidocarborane |
| Formula: | C5 H8 B9 N O2 S |
| Formal charge: | 1 |
| Formula weight: | 243.487 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/C5H8B9NO2S/c15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12/h1-3H2,(H2,15,16,17)/q+1 |
| InChIKey | InChI | 1.03 | XHKOWSMMXUGPDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)CCC[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)CCC[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 | B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B123B45B167B289B31B823B966B744B622C45[C+]321CCCS(=O)(=O)N |
