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

Systemtic Name: cyclopentane; 1,3-di(cyclopentyl)-5-phenyl-pentane-1,5-dione; iron(2+) Openeye Name: diferrous; cyclopentane; 1,3-di(cyclopentyl)-5-phenyl-pentane-1,5-dione CAS Name: cyclopentane; 1,3-di(cyclopentyl)-5-phenylpentane-1,5-dione; iron(2+) IUPAC Name: cyclopentane; 1,3-di(cyclopentyl)-5-phenylpentane-1,5-dione; iron(2+) Traditional Name: diferrous; cyclopentane; 1,3-di(cyclopentyl)-5-phenyl-pentane-1,5-dione Formula: C31H28Fe2O2+4 MolecularWeight: 544.24282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(CC(=O)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[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(=O)CC(CC(=O)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C21H18O2.2C5H5.2Fe/c22-20(17-10-2-1-3-11-17)14-19(16-8-4-5-9-16)15-21(23)18-12-6-7-13-18;2*1-2-4-5-3-1;;/h1-13,19H,14-15H2;2*1-5H;;/q;;;2*+2