ditert-butyl(cyclopentyl)phosphane; iron(2+); (2,3,4-triphenylcyclopentyl)benzene

Systemtic Name: ditert-butyl(cyclopentyl)phosphane; iron(2+); (2,3,4-triphenylcyclopentyl)benzene Openeye Name: ferrous; ditert-butyl(cyclopentyl)phosphane; (2,3,4-triphenylcyclopentyl)benzene CAS Name: ditert-butyl(cyclopentyl)phosphine; iron(2+); (2,3,4-triphenylcyclopentyl)benzene IUPAC Name: ditert-butyl(cyclopentyl)phosphane; iron(2+); (2,3,4-triphenylcyclopentyl)benzene Traditional Name: ferrous; ditert-butyl(cyclopentyl)phosphine; (2,3,4-triphenylcyclopentyl)benzene Formula: C42H43FeP+2 MolecularWeight: 634.609581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.C1=CC=C(C=C1)[C]2[CH][C]([C]([C]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Fe+2]

Isomeric SMILES

CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.C1=CC=C(C=C1)[C]2[CH][C]([C]([C]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Fe+2]

InChI

InChI=1S/C29H21.C13H22P.Fe/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-21H;7-10H,1-6H3;/q;;+2