iron(6+); oxoazanide; tris(2-methyl-2-phenyl-propyl)stannanylium; pentacyanide

Systemtic Name: iron(6+); oxoazanide; tris(2-methyl-2-phenyl-propyl)stannanylium; pentacyanide Openeye Name: iron(6+); nitroxyl anion; tris(2-methyl-2-phenyl-propyl)stannanylium; pentacyanide CAS Name: iron(6+); nitroxyl anion; tris(2-methyl-2-phenylpropyl)stannanylium; pentacyanide IUPAC Name: iron(6+); nitroxyl anion; tris(2-methyl-2-phenylpropyl)stannanylium; pentacyanide Traditional Name: iron(6+); nitroxyl anion; trineophylstannanylium; pentacyanide Formula: C65H78FeN6OSn2+2 MolecularWeight: 1252.61942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[Sn+](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C[Sn+](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Fe+6]

Isomeric SMILES

CC(C)(C[Sn+](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C[Sn+](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Fe+6]

InChI

InChI=1S/6C10H13.5CN.Fe.NO.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;5*1-2;;1-2;;/h6*4-8H,1H2,2-3H3;;;;;;;;;/q;;;;;;5*-1;+6;-1;2*+1