cyclopentane; (2-cyclopentyl-2-oxidanylidene-1-phenyl-ethyl) benzoate; iron(2+)

Systemtic Name: cyclopentane; (2-cyclopentyl-2-oxidanylidene-1-phenyl-ethyl) benzoate; iron(2+) Openeye Name: ferrous; cyclopentane; (2-cyclopentyl-2-oxo-1-phenyl-ethyl) benzoate CAS Name: benzoic acid (2-cyclopentyl-2-oxo-1-phenylethyl) ester; cyclopentane; iron(2+) IUPAC Name: cyclopentane; (2-cyclopentyl-2-oxo-1-phenylethyl) benzoate; iron(2+) Traditional Name: ferrous; benzoic acid (2-cyclopentyl-2-keto-1-phenyl-ethyl) ester; cyclopentane Formula: C25H20FeO3+2 MolecularWeight: 424.2695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15O3.C5H5.Fe/c21-18(15-9-7-8-10-15)19(16-11-3-1-4-12-16)23-20(22)17-13-5-2-6-14-17;1-2-4-5-3-1;/h1-14,19H;1-5H;/q;;+2