(2,3-dimethylphenyl)tin(3+); nickel(2+); dodecacyanide

Systemtic Name: (2,3-dimethylphenyl)tin(3+); nickel(2+); dodecacyanide Openeye Name: trinickelous (2,3-dimethylphenyl)tin(3+) dodecacyanide CAS Name: (2,3-dimethylphenyl)tin(3+); nickel(2+); dodecacyanide IUPAC Name: (2,3-dimethylphenyl)tin(3+); nickel(2+); dodecacyanide Traditional Name: trinickelous (2,3-dimethylphenyl)tin(3+) dodecacyanide Formula: C28H18N12Ni3Sn2 MolecularWeight: 936.02312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

CC1=C(C(=CC=C1)[Sn+3])C.CC1=C(C(=CC=C1)[Sn+3])C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/2C8H9.12CN.3Ni.2Sn/c2*1-7-5-3-4-6-8(7)2;12*1-2;;;;;/h2*3-5H,1-2H3;;;;;;;;;;;;;;;;;/q;;12*-1;3*+2;2*+3