iron(2+); methanal; (5E,7E)-nona-1,5,7-trien-3-one

Systemtic Name: iron(2+); methanal; (5E,7E)-nona-1,5,7-trien-3-one Openeye Name: ferrous; formaldehyde; (5E,7E)-nona-1,5,7-trien-3-one CAS Name: formaldehyde; iron(2+); (5E,7E)-3-nona-1,5,7-trienone IUPAC Name: formaldehyde; iron(2+); (5E,7E)-nona-1,5,7-trien-3-one Traditional Name: ferrous; formaldehyde; (5E,7E)-nona-1,5,7-trien-3-one Formula: C12H17FeO4+ MolecularWeight: 281.10598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11O.3CH2O.Fe/c1-3-5-6-7-8-9(10)4-2;3*1-2;/h3-8H,2H2,1H3;3*1H2;/q-1;;;;+2/b5-3+,7-6+;;;;