iron(2+); 4-oxidanylidene-4-[5-(4-oxidanyl-4-oxidanylidene-butanoyl)cyclopenta-1,4-dien-1-yl]butanoic acid

Systemtic Name: iron(2+); 4-oxidanylidene-4-[5-(4-oxidanyl-4-oxidanylidene-butanoyl)cyclopenta-1,4-dien-1-yl]butanoic acid Openeye Name: ferrous 4-[5-(4-hydroxy-4-oxo-butanoyl)cyclopenta-1,4-dien-1-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-hydroxy-1,4-dioxobutyl)-1-cyclopenta-1,4-dienyl]-4-oxobutanoic acid; iron(2+) IUPAC Name: 4-[5-(4-hydroxy-4-oxobutanoyl)cyclopenta-1,4-dien-1-yl]-4-oxobutanoic acid; iron(2+) Traditional Name: ferrous 4-[5-(4-hydroxy-4-keto-butanoyl)cyclopenta-1,4-dien-1-yl]-4-keto-butyric acid Formula: C13H13FeO6+ MolecularWeight: 321.08372

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=[C-]1)C(=O)CCC(=O)O)C(=O)CCC(=O)O.[Fe+2]

Isomeric SMILES

C1C=C(C(=[C-]1)C(=O)CCC(=O)O)C(=O)CCC(=O)O.[Fe+2]

InChI

InChI=1S/C13H13O6.Fe/c14-10(4-6-12(16)17)8-2-1-3-9(8)11(15)5-7-13(18)19;/h2H,1,4-7H2,(H,16,17)(H,18,19);/q-1;+2