bromanylnickel; 4-(diethylsulfamoyl)-2-sulfanyl-benzenethiolate; tetrabutylazanium

Systemtic Name: bromanylnickel; 4-(diethylsulfamoyl)-2-sulfanyl-benzenethiolate; tetrabutylazanium Openeye Name: bromonickel; 4-(diethylsulfamoyl)-2-sulfanyl-benzenethiolate; tetrabutylammonium CAS Name: bromonickel; 4-(diethylsulfamoyl)-2-mercaptobenzenethiolate; tetrabutylammonium IUPAC Name: bromonickel; 4-(diethylsulfamoyl)-2-sulfanylbenzenethiolate; tetrabutylazanium Traditional Name: bromonickel; 4-(diethylsulfamoyl)-2-mercapto-benzenethiolate; tetrabutylammonium Formula: C36H64BrN3NiO4S6- MolecularWeight: 933.89846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)[S-])S.CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)[S-])S.[Ni]Br

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)[S-])S.CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)[S-])S.[Ni]Br

InChI

InChI=1S/C16H36N.2C10H15NO2S3.BrH.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-3-11(4-2)16(12,13)8-5-6-9(14)10(15)7-8;;/h5-16H2,1-4H3;2*5-7,14-15H,3-4H2,1-2H3;1H;/q+1;;;;+1/p-3