(E)-1-cyclopenta-1,3-dien-1-yl-3-phenyl-prop-2-en-1-one; iron(2+)

Systemtic Name: (E)-1-cyclopenta-1,3-dien-1-yl-3-phenyl-prop-2-en-1-one; iron(2+) Openeye Name: ferrous (E)-1-cyclopenta-1,3-dien-1-yl-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-(1-cyclopenta-1,3-dienyl)-3-phenyl-2-propen-1-one; iron(2+) IUPAC Name: (E)-1-cyclopenta-1,3-dien-1-yl-3-phenylprop-2-en-1-one; iron(2+) Traditional Name: ferrous (E)-1-cyclopenta-1,3-dien-1-yl-3-phenyl-prop-2-en-1-one Formula: C28H22FeO2 MolecularWeight: 446.31808

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1C(=O)C=CC2=CC=CC=C2.[CH-]1C=CC=C1C(=O)C=CC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

[CH-]1C(=CC=C1)C(=O)/C=C/C2=CC=CC=C2.[CH-]1C(=CC=C1)C(=O)/C=C/C2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/2C14H11O.Fe/c2*15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12;/h2*1-11H;/q2*-1;+2/b2*11-10+;