carbon monoxide; iron; 1,4,4-triphenylbutylbenzene

Systemtic Name: carbon monoxide; iron; 1,4,4-triphenylbutylbenzene Openeye Name: carbon monoxide; iron; 1,4,4-triphenylbutylbenzene CAS Name: carbon monoxide; iron; 1,4,4-triphenylbutylbenzene IUPAC Name: carbon monoxide; iron; 1,4,4-triphenylbutylbenzene Traditional Name: carbon monoxide; iron; 1,4,4-triphenylbutylbenzene Formula: C34H22Fe2O6 MolecularWeight: 638.22488

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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]([CH][CH][C](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Fe].[Fe]

Isomeric SMILES

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

InChI

InChI=1S/C28H22.6CO.2Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;6*1-2;;/h1-22H;;;;;;;;