2,5-bis[cyclopentyl(phenyl)methyl]furan; cyclopentane; iron(2+)

Systemtic Name: 2,5-bis[cyclopentyl(phenyl)methyl]furan; cyclopentane; iron(2+) Openeye Name: diferrous; 2,5-bis[cyclopentyl(phenyl)methyl]furan; cyclopentane CAS Name: 2,5-bis[cyclopentyl(phenyl)methyl]furan; cyclopentane; iron(2+) IUPAC Name: 2,5-bis[cyclopentyl(phenyl)methyl]furan; cyclopentane; iron(2+) Traditional Name: diferrous; 2,5-bis[cyclopentyl(phenyl)methyl]furan; cyclopentane Formula: C38H32Fe2O+4 MolecularWeight: 616.35008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(O2)C(C3=CC=CC=C3)[C]4[CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(O2)C(C3=CC=CC=C3)[C]4[CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C28H22O.2C5H5.2Fe/c1-3-11-21(12-4-1)27(23-15-7-8-16-23)25-19-20-26(29-25)28(24-17-9-10-18-24)22-13-5-2-6-14-22;2*1-2-4-5-3-1;;/h1-20,27-28H;2*1-5H;;/q;;;2*+2