(2E,4E)-1-cyclopentyl-5-phenyl-penta-2,4-dien-1-one; iron(2+)

Systemtic Name: (2E,4E)-1-cyclopentyl-5-phenyl-penta-2,4-dien-1-one; iron(2+) Openeye Name: ferrous (2E,4E)-1-cyclopentyl-5-phenyl-penta-2,4-dien-1-one CAS Name: (2E,4E)-1-cyclopentyl-5-phenyl-1-penta-2,4-dienone; iron(2+) IUPAC Name: (2E,4E)-1-cyclopentyl-5-phenylpenta-2,4-dien-1-one; iron(2+) Traditional Name: ferrous (2E,4E)-1-cyclopentyl-5-phenyl-penta-2,4-dien-1-one Formula: C32H26FeO2+2 MolecularWeight: 498.39264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H13O.Fe/c2*17-16(15-11-5-6-12-15)13-7-4-10-14-8-2-1-3-9-14;/h2*1-13H;/q;;+2/b2*10-4+,13-7+;