4-cyclopenta-1,4-dien-1-ylbutanoic acid; 4-cyclopenta-1,4-dien-1-yl-4-oxidanylidene-butanoic acid; iron(2+)

Systemtic Name: 4-cyclopenta-1,4-dien-1-ylbutanoic acid; 4-cyclopenta-1,4-dien-1-yl-4-oxidanylidene-butanoic acid; iron(2+) Openeye Name: ferrous; 4-cyclopenta-1,4-dien-1-ylbutanoic acid; 4-cyclopenta-1,4-dien-1-yl-4-oxo-butanoic acid CAS Name: 4-(1-cyclopenta-1,4-dienyl)butanoic acid; 4-(1-cyclopenta-1,4-dienyl)-4-oxobutanoic acid; iron(2+) IUPAC Name: 4-cyclopenta-1,4-dien-1-ylbutanoic acid; 4-cyclopenta-1,4-dien-1-yl-4-oxobutanoic acid; iron(2+) Traditional Name: ferrous; 4-cyclopenta-1,4-dien-1-ylbutyric acid; 4-cyclopenta-1,4-dien-1-yl-4-keto-butyric acid Formula: C18H20FeO5 MolecularWeight: 372.1934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9O3.C9H11O2.Fe/c10-8(5-6-9(11)12)7-3-1-2-4-7;10-9(11)7-3-6-8-4-1-2-5-8;/h1,3H,2,5-6H2,(H,11,12);1,4H,2-3,6-7H2,(H,10,11);/q2*-1;+2