carbon monoxide; cyclopentane; iron(3+); (4-methylphenyl)methylideneiron(1+); tetrakis(bromanyl)boranuide

Systemtic Name: carbon monoxide; cyclopentane; iron(3+); (4-methylphenyl)methylideneiron(1+); tetrakis(bromanyl)boranuide Openeye Name: ferric; carbon monoxide; cyclopentane; p-tolylmethyleneiron(1+); tetrabromoboranuide CAS Name: carbon monoxide; cyclopentane; iron(3+); (4-methylphenyl)methylideneiron(1+); tetrabromoboranuide IUPAC Name: carbon monoxide; cyclopentane; iron(3+); (4-methylphenyl)methylideneiron(1+); tetrabromoboranuide Traditional Name: ferric; carbon monoxide; cyclopentane; p-tolylmethyleneiron(1+); tetrabromoboranuide Formula: C21H17BBr4Fe2O3+2 MolecularWeight: 759.47488

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Descriptors Computed from Structure

Canonical SMILES:

[B-](Br)(Br)(Br)Br.CC1=CC=C(C=C1)[C-]=[Fe+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3]

Isomeric SMILES

[B-](Br)(Br)(Br)Br.CC1=CC=C(C=C1)[C-]=[Fe+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3]

InChI

InChI=1S/C8H7.2C5H5.3CO.BBr4.2Fe/c1-7-3-5-8(2)6-4-7;2*1-2-4-5-3-1;3*1-2;2-1(3,4)5;;/h3-6H,1H3;2*1-5H;;;;;;/q-1;;;;;;-1;+1;+3