1-cyclopentylethanone; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene

Systemtic Name: 1-cyclopentylethanone; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene Openeye Name: ferrous; 1-cyclopentylethanone; (2,3,4,5-tetraphenylcyclopentyl)benzene CAS Name: 1-cyclopentylethanone; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene IUPAC Name: 1-cyclopentylethanone; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene Traditional Name: ferrous; 1-cyclopentylethanone; (2,3,4,5-tetraphenylcyclopentyl)benzene Formula: C42H32FeO+2 MolecularWeight: 608.54788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[C]1[CH][CH][CH][CH]1.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.[Fe+2]

Isomeric SMILES

CC(=O)[C]1[CH][CH][CH][CH]1.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.[Fe+2]

InChI

InChI=1S/C35H25.C7H7O.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;1-6(8)7-4-2-3-5-7;/h1-25H;2-5H,1H3;/q;;+2