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CB5

Summary
Name:COBALT BIS(1,2-DICARBOLLIDE)
Formula:C4 H22 B18 Co
Formal charge:null
Formula weight:323.749 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs14.52Polycyclic part contains more than 20 rings!

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]585[BH]161[CH]%1155[CH]211[BH]424[BH]9%12([BH]37%102)[Co]%135211354[BH]467[BH]89%10[BH]442[BH]828[BH]99%11[BH]6%106[BH]771[BH]961[BH]2%112[CH]713[CH]4825
InChIInChI1.06InChI=1S/2C2H11B9.Co/c2*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;/h2*1-11H;
InChIKeyInChI1.06QLYIVYAPNJBOCD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[Co].[BH]123[BH]45[CH]67[CH]89[BH]1%10[BH]2%11%12[BH]34%13[BH]56%14[BH]78%15[BH]9%10%11[BH]%12%13%14%15.[BH]%16%17%18[BH]%19%20[CH]%21%22[CH]%23%24[BH]%16%25[BH]%17%26%27[BH]%18%19%28[BH]%20%21%29[BH]%22%23%30[BH]%24%25%26[BH]%27%28%29%30
SMILESCACTVS3.385[Co].[BH]123[BH]45[CH]67[CH]89[BH]1%10[BH]2%11%12[BH]34%13[BH]56%14[BH]78%15[BH]9%10%11[BH]%12%13%14%15.[BH]%16%17%18[BH]%19%20[CH]%21%22[CH]%23%24[BH]%16%25[BH]%17%26%27[BH]%18%19%28[BH]%20%21%29[BH]%22%23%30[BH]%24%25%26[BH]%27%28%29%30
SMILES_CANONICALOpenEye OEToolkits3.1.0.0[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[CH]4%105[Co]76121234[BH]567[BH]118[BH]559[BH]66%10[BH]272[BH]667[BH]%1055[BH]911[BH]565[CH]318[CH]4752
SMILESOpenEye OEToolkits3.1.0.0[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[CH]4%105[Co]76121234[BH]567[BH]118[BH]559[BH]66%10[BH]272[BH]667[BH]%1055[BH]911[BH]565[CH]318[CH]4752

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PDB entries from 2026-09-09

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