carbon monoxide; iron(3+); phenyl-(2-phenylphosphaniumylphenyl)phosphanium

Systemtic Name: carbon monoxide; iron(3+); phenyl-(2-phenylphosphaniumylphenyl)phosphanium Openeye Name: diferric; carbon monoxide; phenyl-(2-phenylphosphaniumylphenyl)phosphonium CAS Name: carbon monoxide; iron(3+); phenyl-(2-phenylphosphiniumylphenyl)phosphonium IUPAC Name: carbon monoxide; iron(3+); phenyl-(2-phenylphosphaniumylphenyl)phosphanium Traditional Name: diferric; carbon monoxide; phenyl-(2-phenylphosphiniumylphenyl)phosphonium Formula: C24H18Fe2O6P2+8 MolecularWeight: 576.033642

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[PH2+]C2=CC=CC=C2[PH2+]C3=CC=CC=C3.[Fe+3].[Fe+3]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[PH2+]C2=CC=CC=C2[PH2+]C3=CC=CC=C3.[Fe+3].[Fe+3]

InChI

InChI=1S/C18H16P2.6CO.2Fe/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;6*1-2;;/h1-14,19-20H;;;;;;;;/q;;;;;;;2*+3/p+2