cyclopentyl-(3-cyclopentylcarbonylphenyl)methanone; iron(2+); methyl cyclopentanecarboxylate

Systemtic Name: cyclopentyl-(3-cyclopentylcarbonylphenyl)methanone; iron(2+); methyl cyclopentanecarboxylate Openeye Name: diferrous; [3-(cyclopentanecarbonyl)phenyl]-cyclopentyl-methanone; methyl cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid methyl ester; cyclopentyl-[3-[cyclopentyl(oxo)methyl]phenyl]methanone; iron(2+) IUPAC Name: [3-(cyclopentanecarbonyl)phenyl]-cyclopentylmethanone; iron(2+); methyl cyclopentanecarboxylate Traditional Name: diferrous; [3-(cyclopentanecarbonyl)phenyl]-cyclopentyl-methanone; cyclopentanecarboxylic acid methyl ester Formula: C32H26Fe2O6+4 MolecularWeight: 618.23524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12O2.2C7H7O2.2Fe/c19-17(13-6-1-2-7-13)15-10-5-11-16(12-15)18(20)14-8-3-4-9-14;2*1-9-7(8)6-4-2-3-5-6;;/h1-12H;2*2-5H,1H3;;/q;;;2*+2