iron(2+); (Z)-4-oxidanylidenepent-2-en-2-olate; benzoate

Systemtic Name: iron(2+); (Z)-4-oxidanylidenepent-2-en-2-olate; benzoate Openeye Name: diferrous (Z)-4-oxopent-2-en-2-olate benzoate CAS Name: iron(2+); (Z)-4-oxo-2-penten-2-olate; benzoate IUPAC Name: iron(2+); (Z)-4-oxopent-2-en-2-olate; benzoate Traditional Name: diferrous (Z)-4-ketopent-2-en-2-olate benzoate Formula: C12H12Fe2O4+2 MolecularWeight: 331.91128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C5H8O2.2Fe/c8-7(9)6-4-2-1-3-5-6;1-4(6)3-5(2)7;;/h1-5H,(H,8,9);3,6H,1-2H3;;/q;;2*+2/p-2/b;4-3-;;