1-cyclohexa-2,4-dien-1-ylprop-2-en-1-one; iron(2+); methanal

Systemtic Name: 1-cyclohexa-2,4-dien-1-ylprop-2-en-1-one; iron(2+); methanal Openeye Name: ferrous; 1-cyclohexa-2,4-dien-1-ylprop-2-en-1-one; formaldehyde CAS Name: 1-(1-cyclohexa-2,4-dienyl)-2-propen-1-one; formaldehyde; iron(2+) IUPAC Name: 1-cyclohexa-2,4-dien-1-ylprop-2-en-1-one; formaldehyde; iron(2+) Traditional Name: ferrous; 1-cyclohexa-2,4-dien-1-ylprop-2-en-1-one; formaldehyde Formula: C12H16FeO4+2 MolecularWeight: 280.09804

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C1CC=CC=C1.C=O.C=O.C=O.[Fe+2]

Isomeric SMILES

C=CC(=O)C1CC=CC=C1.C=O.C=O.C=O.[Fe+2]

InChI

InChI=1S/C9H10O.3CH2O.Fe/c1-2-9(10)8-6-4-3-5-7-8;3*1-2;/h2-6,8H,1,7H2;3*1H2;/q;;;;+2