diphenylphosphorylbenzene; iron(2+); diperchlorate

Systemtic Name: diphenylphosphorylbenzene; iron(2+); diperchlorate Openeye Name: ferrous diphenylphosphorylbenzene diperchlorate CAS Name: diphenylphosphorylbenzene; iron(2+); diperchlorate IUPAC Name: diphenylphosphorylbenzene; iron(2+); diperchlorate Traditional Name: ferrous diphenylphosphorylbenzene diperchlorate Formula: C72H60Cl2FeO12P4 MolecularWeight: 1367.885644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/4C18H15OP.2ClHO4.Fe/c4*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)5;/h4*1-15H;2*(H,2,3,4,5);/q;;;;;;+2/p-2