tert-butyl-cyclopentyl-methyl-phosphane; iron; 2-methylpropane; (2,3,4,5-tetraphenylcyclopentyl)benzene

Systemtic Name: tert-butyl-cyclopentyl-methyl-phosphane; iron; 2-methylpropane; (2,3,4,5-tetraphenylcyclopentyl)benzene Openeye Name: tert-butyl-cyclopentyl-methyl-phosphane; iron; isobutane; (2,3,4,5-tetraphenylcyclopentyl)benzene CAS Name: tert-butyl-cyclopentyl-methylphosphine; iron; 2-methylpropane; (2,3,4,5-tetraphenylcyclopentyl)benzene IUPAC Name: tert-butyl-cyclopentyl-methylphosphane; iron; 2-methylpropane; (2,3,4,5-tetraphenylcyclopentyl)benzene Traditional Name: tert-butyl-cyclopentyl-methyl-phosphine; iron; isobutane; (2,3,4,5-tetraphenylcyclopentyl)benzene Formula: C49H51FeP MolecularWeight: 726.748001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C.CC(C)(C)P(C)[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]

Isomeric SMILES

CC(C)C.CC(C)(C)P(C)[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]

InChI

InChI=1S/C35H25.C10H16P.C4H10.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;1-10(2,3)11(4)9-7-5-6-8-9;1-4(2)3;/h1-25H;5-8H,1-4H3;4H,1-3H3;