ethanol; iron(3+); 2-[(2-oxidanidylphenyl)iminomethyl]phenolate; (Z)-4-oxidanylidenepent-2-en-2-olate

Systemtic Name: ethanol; iron(3+); 2-[(2-oxidanidylphenyl)iminomethyl]phenolate; (Z)-4-oxidanylidenepent-2-en-2-olate Openeye Name: ferric; ethanol; 2-[(2-oxidophenyl)iminomethyl]phenolate; (Z)-4-oxopent-2-en-2-olate CAS Name: ethanol; iron(3+); 2-[(2-oxidophenyl)iminomethyl]phenolate; (Z)-4-oxo-2-penten-2-olate IUPAC Name: ethanol; iron(3+); 2-[(2-oxidophenyl)iminomethyl]phenolate; (Z)-4-oxopent-2-en-2-olate Traditional Name: ferric; ethanol; (Z)-4-ketopent-2-en-2-olate; 2-[(2-oxidophenyl)iminomethyl]phenolate Formula: C20H22FeNO5 MolecularWeight: 412.23738

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(=CC(=O)C)[O-].C1=CC=C(C(=C1)C=NC2=CC=CC=C2[O-])[O-].[Fe+3]

Isomeric SMILES

CCO.C/C(=C/C(=O)C)/[O-].C1=CC=C(C(=C1)C=NC2=CC=CC=C2[O-])[O-].[Fe+3]

InChI

InChI=1S/C13H11NO2.C5H8O2.C2H6O.Fe/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16;1-4(6)3-5(2)7;1-2-3;/h1-9,15-16H;3,6H,1-2H3;3H,2H2,1H3;/q;;;+3/p-3/b;4-3-;;