P82
Summary
| Name: | Para-Carborane di-propyl-sulfonamide |
| Formula: | C8 H16 B10 N2 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 376.464 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/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-10(7)12(7)13(7)11(7,9)15(9)8(4-2-6-26(20,23)24)14(9,10,15)16(8,10,12)18(8,12,13)17(8,11,13)15/h1-6H2,(H2,19,21,22)(H2,20,23,24) |
| InChIKey | InChI | 1.03 | HXGDSZGPWSRELQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15[C]%16%17%18%19CCC[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15[C]%16%17%18%19CCC[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N |
