iron; 1-[4-(3-oxidanylidenebutanoyl)phenyl]butane-1,3-dione

Systemtic Name: iron; 1-[4-(3-oxidanylidenebutanoyl)phenyl]butane-1,3-dione Openeye Name: iron; 1-[4-(3-oxobutanoyl)phenyl]butane-1,3-dione CAS Name: 1-[4-(1,3-dioxobutyl)phenyl]butane-1,3-dione; iron IUPAC Name: iron; 1-[4-(3-oxobutanoyl)phenyl]butane-1,3-dione Traditional Name: 1-(4-acetoacetylphenyl)butane-1,3-dione; iron Formula: C14H14FeO4 MolecularWeight: 302.10356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4.Fe/c1-9(15)7-13(17)11-3-5-12(6-4-11)14(18)8-10(2)16;/h3-6H,7-8H2,1-2H3;