carbon monoxide; cyclopentane; iron; phenyl-(phenylmethyl)phosphanium; chloride

Systemtic Name: carbon monoxide; cyclopentane; iron; phenyl-(phenylmethyl)phosphanium; chloride Openeye Name: benzyl(phenyl)phosphonium; carbon monoxide; cyclopentane; iron; chloride CAS Name: carbon monoxide; cyclopentane; iron; phenyl-(phenylmethyl)phosphonium; chloride IUPAC Name: benzyl(phenyl)phosphanium; carbon monoxide; cyclopentane; iron; chloride Traditional Name: benzyl(phenyl)phosphonium; carbon monoxide; cyclopentane; iron; chloride Formula: C27H24ClFe2O4P MolecularWeight: 590.593821

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C[PH2+]C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Fe].[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C[PH2+]C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Fe].[Fe]

InChI

InChI=1S/C13H13P.2C5H5.4CO.ClH.2Fe/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;2*1-2-4-5-3-1;4*1-2;;;/h1-10,14H,11H2;2*1-5H;;;;;1H;;