1-cyclopenta-1,4-dien-1-ylethanone; (E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoic acid; iron(2+)

Systemtic Name: 1-cyclopenta-1,4-dien-1-ylethanone; (E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoic acid; iron(2+) Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-ylethanone; (E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoic acid CAS Name: 1-(1-cyclopenta-1,4-dienyl)ethanone; (E)-3-(1-cyclopenta-1,4-dienyl)-2-propenoic acid; iron(2+) IUPAC Name: 1-cyclopenta-1,4-dien-1-ylethanone; (E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoic acid; iron(2+) Traditional Name: ferrous; (E)-3-cyclopenta-1,4-dien-1-ylacrylic acid; 1-cyclopenta-1,4-dien-1-ylethanone Formula: C15H14FeO3 MolecularWeight: 298.11486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=[C-]CC=C1.C1C=CC(=[C-]1)/C=C/C(=O)O.[Fe+2]

InChI

InChI=1S/C8H7O2.C7H7O.Fe/c9-8(10)6-5-7-3-1-2-4-7;1-6(8)7-4-2-3-5-7;/h1,3,5-6H,2H2,(H,9,10);2,4H,3H2,1H3;/q2*-1;+2/b6-5+;;