9-[cyclopentyl(phenyl)phosphoryl]phenanthrene; iron(2+)

Systemtic Name: 9-[cyclopentyl(phenyl)phosphoryl]phenanthrene; iron(2+) Openeye Name: ferrous 9-[cyclopentyl(phenyl)phosphoryl]phenanthrene CAS Name: 9-[cyclopentyl(phenyl)phosphoryl]phenanthrene; iron(2+) IUPAC Name: 9-[cyclopentyl(phenyl)phosphoryl]phenanthrene; iron(2+) Traditional Name: ferrous 9-[cyclopentyl(phenyl)phosphoryl]phenanthrene Formula: C50H36FeO2P2+2 MolecularWeight: 786.612162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)([C]2[CH][CH][CH][CH]2)C3=CC4=CC=CC=C4C5=CC=CC=C53.C1=CC=C(C=C1)P(=O)([C]2[CH][CH][CH][CH]2)C3=CC4=CC=CC=C4C5=CC=CC=C53.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)[P@@](=O)([C]2[CH][CH][CH][CH]2)C3=CC4=CC=CC=C4C5=CC=CC=C53.C1=CC=C(C=C1)[P@@](=O)([C]2[CH][CH][CH][CH]2)C3=CC4=CC=CC=C4C5=CC=CC=C53.[Fe+2]

InChI

InChI=1S/2C25H18OP.Fe/c2*26-27(21-13-5-6-14-21,20-11-2-1-3-12-20)25-18-19-10-4-7-15-22(19)23-16-8-9-17-24(23)25;/h2*1-18H;/q;;+2/t2*27-;/m11./s1