OWK

Summary

Name:	Metala-Carborane di-ethyl-sulfonamide
Formula:	C8 H15 B18 Co N2 O4 S2
Formal charge:	2
Formula weight:	520.877 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/2C4H8B9NO2S.Co/c1-4(2-3-17(14,15)16)9-6-12(9)8-5-7-10(4)11(9,12)13(7,8,10)12;14-17(15,16)2-1-4-3-10-8-7-6-11(4,7)9-12(10,5-4)13(8,9)10;/h1-3H2,(H2,14,15,16);3,6H,1-2H2,(H2,14,15,16);/q+2;;
InChIKey	InChI	1.03	VTEZHESIJASILH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247[B-]38[B]679B%10[B]189[Co]5%10%11%12B%13[C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14%18B%19[B]%15%17[B]%12%13%16%19)CC[S](N)(=O)=O
SMILES	CACTVS	3.385	C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247[B-]38[B]679B%10[B]189[Co]5%10%11%12B%13[C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14%18B%19[B]%15%17[B]%12%13%16%19)CC[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N