9UK
Summary
| Name: | cobaltcarborane |
| Formula: | C5 H5 B18 Co N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 410.702 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/C3H5B9N2O2S.C2HB9.Co/c13-17(15,16)14-1-2-3-6-9(3)8(3)7(2)10(4-2)5-11(6,9,10)12(7,8,9)10;3-11-4-1-2-5-6(11)8(2)9(2)7(1,11)10(8,9)11;/h14H,1H2,(H2,13,15,16);3H;/q+2;+3;-5/t2-,3?;;/m1../s1 |
| InChIKey | InChI | 1.03 | PEWSPLOUYVACJS-IPBARVNRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | B[B]123B4B5[C@@]67[B+]48[B]19[B]2([B-]689)[C@]7%10B3[Co]5%10%11B%12[C@]%13(CN[S](N)(=O)=O)[B-]%14%15[B+]%16%17[C@@]%13%18B%19[B]%20%21%22B%11[B]%12%14%20[B]%15%16%21[B]%17%18%19%22 |
| SMILES | CACTVS | 3.385 | B[B]123B4B5[C]67[B+]48[B]19[B]2([B-]689)[C]7%10B3[Co]5%10%11B%12[C]%13(CN[S](N)(=O)=O)[B-]%14%15[B+]%16%17[C]%13%18B%19[B]%20%21%22B%11[B]%12%14%20[B]%15%16%21[B]%17%18%19%22 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [B]1B234B5B6[Co]17891%10%11(B2[C@]72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | [B]1B234B5B6[Co]17891%10%11(B2C72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N |
