(2,3-dimethylphenyl)tin(3+); iron(6+); oxoazanide; pentadecacyanide

Systemtic Name: (2,3-dimethylphenyl)tin(3+); iron(6+); oxoazanide; pentadecacyanide Openeye Name: (2,3-dimethylphenyl)tin(3+); iron(6+); nitroxyl anion; pentadecacyanide CAS Name: (2,3-dimethylphenyl)tin(3+); iron(6+); nitroxyl anion; pentadecacyanide IUPAC Name: (2,3-dimethylphenyl)tin(3+); iron(6+); nitroxyl anion; pentadecacyanide Traditional Name: (2,3-dimethylphenyl)tin(3+); iron(6+); nitroxyl anion; pentadecacyanide Formula: C31H18Fe3N18O3Sn2+6 MolecularWeight: 1095.54842

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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.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[N-]=O.[N-]=O.[Fe+6].[Fe+6].[Fe+6]

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.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[N-]=O.[N-]=O.[Fe+6].[Fe+6].[Fe+6]

InChI

InChI=1S/2C8H9.15CN.3Fe.3NO.2Sn/c2*1-7-5-3-4-6-8(7)2;15*1-2;;;;3*1-2;;/h2*3-5H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;/q;;15*-1;3*+6;3*-1;2*+3