carbon monoxide; cyclopentane; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene

Systemtic Name: carbon monoxide; cyclopentane; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene Openeye Name: ferrous; carbon monoxide; cyclopentane; (2,3,4,5-tetraphenylcyclopentyl)benzene CAS Name: carbon monoxide; cyclopentane; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene IUPAC Name: carbon monoxide; cyclopentane; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene Traditional Name: ferrous; carbon monoxide; cyclopentane; (2,3,4,5-tetraphenylcyclopentyl)benzene Formula: C42H30FeO2+2 MolecularWeight: 622.5314

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C35H25.C5H5.2CO.Fe/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-2-4-5-3-1;2*1-2;/h1-25H;1-5H;;;/q;;;;+2