diphenyl-[1,5,6-tris(diphenylphosphanyl)hexan-2-yl]phosphane; iron(2+)

Systemtic Name: diphenyl-[1,5,6-tris(diphenylphosphanyl)hexan-2-yl]phosphane; iron(2+) Openeye Name: ferrous diphenyl-[2,5,6-tris(diphenylphosphanyl)hexyl]phosphane CAS Name: diphenyl-[1,5,6-tris(diphenylphosphino)hexan-2-yl]phosphine; iron(2+) IUPAC Name: diphenyl-[1,5,6-tris(diphenylphosphanyl)hexan-2-yl]phosphane; iron(2+) Traditional Name: ferrous diphenyl-[2,5,6-tris(diphenylphosphino)hexyl]phosphine Formula: C54H50FeP4+2 MolecularWeight: 878.714844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CC(CCC(CP(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)P(CC(CCC(CP(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Fe+2]

InChI

InChI=1S/C54H50P4.Fe/c1-9-25-45(26-10-1)55(46-27-11-2-12-28-46)43-53(57(49-33-17-5-18-34-49)50-35-19-6-20-36-50)41-42-54(58(51-37-21-7-22-38-51)52-39-23-8-24-40-52)44-56(47-29-13-3-14-30-47)48-31-15-4-16-32-48;/h1-40,53-54H,41-44H2;/q;+2