LD3
Summary
Name: | meta-carboran-propylsulfonamid |
Formula: | C5 H8 B10 N O2 S |
Formal charge: | 0 |
Formula weight: | 254.298 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 | 1.06 | InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-6-4-7(5,6)9(4)10(4)8(4,6)11(5,6)13(5)12(5,7,9)15(9,10,13)14(8,10,11)13/h1-3H2,(H2,16,17,18) |
InChIKey | InChI | 1.06 | GZJGPPMPTGFUSA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CCCS(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CCCS(=O)(=O)N |