B8B
Summary
| Name: | cobaltcarborane |
| Formula: | C6 H7 B18 Co N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 424.728 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/C4H7B9N2O2S.C2B9.Co/c14-18(16,17)15-2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11;1-2-4-5-3(1)7(1)6(1,2)8(2,4)10(4,5)9(3,5,7)11(6,7,8)10;/h15H,1-2H2,(H2,14,16,17);;/q2*-3;+6 |
| InChIKey | InChI | 1.03 | XNSHSPCCSMHWNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)NCC[C]1234[C@]56[B]789[B]15%10[B]7%11%12[B]8%13%14[B]69%15[B]%13%16%17[B]%11%14%18[B]2%10%12[B]3%16%18[Co]4%15%17%19%20[B]%21%22%23[C@@]%24%25[C@]%26%27[B]%24%28%29[B]%21%25%30[B]%28%31%32[B]%26%29%33[B]%19%27%34[B]%31%33%35[B]%22%30%32[B]%20%23%34%35 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)NCC[C]1234[C]56[B]789[B]15%10[B]7%11%12[B]8%13%14[B]69%15[B]%13%16%17[B]%11%14%18[B]2%10%12[B]3%16%18[Co]4%15%17%19%20[B]%21%22%23[C]%24%25[C]%26%27[B]%24%28%29[B]%21%25%30[B]%28%31%32[B]%26%29%33[B]%19%27%34[B]%31%33%35[B]%22%30%32[B]%20%23%34%35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N |
