cyclopentane; iron(2+); 12-phenoxydodecoxybenzene; dihexafluorophosphate

Systemtic Name: cyclopentane; iron(2+); 12-phenoxydodecoxybenzene; dihexafluorophosphate Openeye Name: diferrous; cyclopentane; 12-phenoxydodecoxybenzene; dihexafluorophosphate CAS Name: cyclopentane; iron(2+); 12-phenoxydodecoxybenzene; dihexafluorophosphate IUPAC Name: cyclopentane; iron(2+); 12-phenoxydodecoxybenzene; dihexafluorophosphate Traditional Name: diferrous; cyclopentane; 12-phenoxydodecoxybenzene; dihexafluorophosphate Formula: C34H44F12Fe2O2P2+2 MolecularWeight: 886.33032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCCCCCCOC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCCCCCCOC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].[Fe+2]

InChI

InChI=1S/C24H34O2.2C5H5.2F6P.2Fe/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24;2*1-2-4-5-3-1;2*1-7(2,3,4,5)6;;/h9-14,17-20H,1-8,15-16,21-22H2;2*1-5H;;;;/q;;;2*-1;2*+2