carbon monoxide; iron; iron(2+); 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene

Systemtic Name: carbon monoxide; iron; iron(2+); 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene Openeye Name: ferrous; carbon monoxide; [2,3-diphenyl-1-(phenylmethylene)allyl]benzene; iron CAS Name: carbon monoxide; iron; iron(2+); 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene IUPAC Name: carbon monoxide; iron; iron(2+); 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene Traditional Name: ferrous; carbon monoxide; [2,3-diphenyl-1-(phenylmethylene)allyl]benzene; iron Formula: C34H20Fe2O6 MolecularWeight: 636.209

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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)[C-]=C(C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.[Fe].[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C-]=C(C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.[Fe].[Fe+2]

InChI

InChI=1S/C28H20.6CO.2Fe/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;6*1-2;;/h1-20H;;;;;;;;/q-2;;;;;;;;+2