26E

7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane

Created:2013-08-30
Last modified:  2014-01-01

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count1
Bond Count36
Aromatic Bond Count0
2D diagram of 26E

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Chemical Component Summary

Name7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane
FormulaC3 H5 B9 N2 O2 S
Molecular Weight230.448
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](=O)(=O)NC[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
SMILESOpenEye OEToolkits1.7.6B123B45B167B289B31B823B966B744B622C45C321CNS(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)NC[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
Canonical SMILESOpenEye OEToolkits1.7.6 B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N
InChIInChI1.03 InChI=1S/C3H5B9N2O2S/c13-17(15,16)14-1-3-2-4-6-5(3)9(3)7(2,3)8(2,4)10(4,6)11(5,6,9)12(7,8,9)10/h14H,1H2,(H2,13,15,16)
InChIKeyInChI1.03 VRKHBQSBPLXCRB-UHFFFAOYSA-N