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

Systemtic Name: cyclopentane; 1-cyclopentyl-3-(3-nitrophenyl)-5-phenyl-pentane-1,5-dione; iron(2+) Openeye Name: ferrous; cyclopentane; 1-cyclopentyl-3-(3-nitrophenyl)-5-phenyl-pentane-1,5-dione CAS Name: cyclopentane; 1-cyclopentyl-3-(3-nitrophenyl)-5-phenylpentane-1,5-dione; iron(2+) IUPAC Name: cyclopentane; 1-cyclopentyl-3-(3-nitrophenyl)-5-phenylpentane-1,5-dione; iron(2+) Traditional Name: ferrous; cyclopentane; 1-cyclopentyl-3-(3-nitrophenyl)-5-phenyl-pentane-1,5-dione Formula: C27H23FeNO4+2 MolecularWeight: 481.32082

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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)C3=CC(=CC=C3)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(CC(=O)[C]2[CH][CH][CH][CH]2)C3=CC(=CC=C3)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H18NO4.C5H5.Fe/c24-21(16-7-2-1-3-8-16)14-19(15-22(25)17-9-4-5-10-17)18-11-6-12-20(13-18)23(26)27;1-2-4-5-3-1;/h1-13,19H,14-15H2;1-5H;/q;;+2