cyclohepta-2,4,6-trien-1-one; iron(2+); methanal

Systemtic Name: cyclohepta-2,4,6-trien-1-one; iron(2+); methanal Openeye Name: ferrous; cyclohepta-2,4,6-trien-1-one; formaldehyde CAS Name: 1-cyclohepta-2,4,6-trienone; formaldehyde; iron(2+) IUPAC Name: cyclohepta-2,4,6-trien-1-one; formaldehyde; iron(2+) Traditional Name: ferrous; cyclohepta-2,4,6-trien-1-one; formaldehyde Formula: C10H12FeO4+2 MolecularWeight: 252.04488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O.3CH2O.Fe/c8-7-5-3-1-2-4-6-7;3*1-2;/h1-6H;3*1H2;/q;;;;+2