cyclopentane; 2-(3-cyclopentyl-3-oxidanylidene-1-phenyl-propyl)cyclohexan-1-one; iron(2+)

Systemtic Name: cyclopentane; 2-(3-cyclopentyl-3-oxidanylidene-1-phenyl-propyl)cyclohexan-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; 2-(3-cyclopentyl-3-oxo-1-phenyl-propyl)cyclohexanone CAS Name: cyclopentane; 2-(3-cyclopentyl-3-oxo-1-phenylpropyl)-1-cyclohexanone; iron(2+) IUPAC Name: cyclopentane; 2-(3-cyclopentyl-3-oxo-1-phenylpropyl)cyclohexan-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; 2-(3-cyclopentyl-3-keto-1-phenyl-propyl)cyclohexanone Formula: C25H26FeO2+2 MolecularWeight: 414.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(CC(=O)[C]2[CH][CH][CH][CH]2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1CCC(=O)C(C1)C(CC(=O)[C]2[CH][CH][CH][CH]2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C20H21O2.C5H5.Fe/c21-19-13-7-6-12-17(19)18(15-8-2-1-3-9-15)14-20(22)16-10-4-5-11-16;1-2-4-5-3-1;/h1-5,8-11,17-18H,6-7,12-14H2;1-5H;/q;;+2