cyclopentane; iron(2+); 1,3,5-tri(cyclopentyl)pentane-1,5-dione

Systemtic Name: cyclopentane; iron(2+); 1,3,5-tri(cyclopentyl)pentane-1,5-dione Openeye Name: diferrous; cyclopentane; 1,3,5-tri(cyclopentyl)pentane-1,5-dione CAS Name: cyclopentane; iron(2+); 1,3,5-tri(cyclopentyl)pentane-1,5-dione IUPAC Name: cyclopentane; iron(2+); 1,3,5-tri(cyclopentyl)pentane-1,5-dione Traditional Name: diferrous; cyclopentane; 1,3,5-tri(cyclopentyl)pentane-1,5-dione Formula: C25H22Fe2O2+4 MolecularWeight: 466.13098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C(CC(=O)[C]2[CH][CH][CH][CH]2)CC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C(CC(=O)[C]2[CH][CH][CH][CH]2)CC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2]

InChI

InChI=1S/C20H17O2.C5H5.2Fe/c21-19(16-9-3-4-10-16)13-18(15-7-1-2-8-15)14-20(22)17-11-5-6-12-17;1-2-4-5-3-1;;/h1-12,18H,13-14H2;1-5H;;/q;;2*+2