(E)-3-(4-chlorophenyl)-1-cyclopentyl-prop-2-en-1-one; 1-cyclopentylethanone; iron(2+)

Systemtic Name: (E)-3-(4-chlorophenyl)-1-cyclopentyl-prop-2-en-1-one; 1-cyclopentylethanone; iron(2+) Openeye Name: ferrous; (E)-3-(4-chlorophenyl)-1-cyclopentyl-prop-2-en-1-one; 1-cyclopentylethanone CAS Name: (E)-3-(4-chlorophenyl)-1-cyclopentyl-2-propen-1-one; 1-cyclopentylethanone; iron(2+) IUPAC Name: (E)-3-(4-chlorophenyl)-1-cyclopentylprop-2-en-1-one; 1-cyclopentylethanone; iron(2+) Traditional Name: ferrous; (E)-3-(4-chlorophenyl)-1-cyclopentyl-prop-2-en-1-one; 1-cyclopentylethanone Formula: C21H17ClFeO2+2 MolecularWeight: 392.65648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[C]1[CH][CH][CH][CH]1.C1=CC(=CC=C1C=CC(=O)[C]2[CH][CH][CH][CH]2)Cl.[Fe+2]

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClO.C7H7O.Fe/c15-13-8-5-11(6-9-13)7-10-14(16)12-3-1-2-4-12;1-6(8)7-4-2-3-5-7;/h1-10H;2-5H,1H3;/q;;+2/b10-7+;;