iron(3+); methanal; (4E,6E)-2-methylideneocta-4,6-dienoate

Systemtic Name: iron(3+); methanal; (4E,6E)-2-methylideneocta-4,6-dienoate Openeye Name: ferric; formaldehyde; (4E,6E)-2-methyleneocta-4,6-dienoate CAS Name: formaldehyde; iron(3+); (4E,6E)-2-methyleneocta-4,6-dienoate IUPAC Name: formaldehyde; iron(3+); (4E,6E)-2-methylideneocta-4,6-dienoate Traditional Name: ferric; formaldehyde; (4E,6E)-2-methyleneocta-4,6-dienoate Formula: C30H39FeO9 MolecularWeight: 599.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CCC(=C)C(=O)[O-].CC=CC=CCC(=C)C(=O)[O-].CC=CC=CCC(=C)C(=O)[O-].C=O.C=O.C=O.[Fe+3]

Isomeric SMILES

C/C=C/C=C/CC(=C)C(=O)[O-].C/C=C/C=C/CC(=C)C(=O)[O-].C/C=C/C=C/CC(=C)C(=O)[O-].C=O.C=O.C=O.[Fe+3]

InChI

InChI=1S/3C9H12O2.3CH2O.Fe/c3*1-3-4-5-6-7-8(2)9(10)11;3*1-2;/h3*3-6H,2,7H2,1H3,(H,10,11);3*1H2;/q;;;;;;+3/p-3/b3*4-3+,6-5+;;;;