ethanenitrile; iron(3+); triperchlorate

Systemtic Name: ethanenitrile; iron(3+); triperchlorate Openeye Name: ferric acetonitrile triperchlorate CAS Name: acetonitrile; iron(3+); triperchlorate IUPAC Name: acetonitrile; iron(3+); triperchlorate Traditional Name: ferric acetonitrile triperchlorate Formula: C12H18Cl3FeN6O12 MolecularWeight: 600.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/6C2H3N.3ClHO4.Fe/c6*1-2-3;3*2-1(3,4)5;/h6*1H3;3*(H,2,3,4,5);/q;;;;;;;;;+3/p-3