2-cyclopenta-1,4-dien-1-ylcarbonylbenzoic acid; iron(2+)

Systemtic Name: 2-cyclopenta-1,4-dien-1-ylcarbonylbenzoic acid; iron(2+) Openeye Name: ferrous 2-(cyclopenta-1,4-diene-1-carbonyl)benzoic acid CAS Name: 2-[1-cyclopenta-1,4-dienyl(oxo)methyl]benzoic acid; iron(2+) IUPAC Name: 2-(cyclopenta-1,4-diene-1-carbonyl)benzoic acid; iron(2+) Traditional Name: ferrous 2-(cyclopenta-1,4-diene-1-carbonyl)benzoic acid Formula: C26H18FeO6 MolecularWeight: 482.26252

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=[C-]1)C(=O)C2=CC=CC=C2C(=O)O.C1C=CC(=[C-]1)C(=O)C2=CC=CC=C2C(=O)O.[Fe+2]

Isomeric SMILES

C1C=CC(=[C-]1)C(=O)C2=CC=CC=C2C(=O)O.C1C=CC(=[C-]1)C(=O)C2=CC=CC=C2C(=O)O.[Fe+2]

InChI

InChI=1S/2C13H9O3.Fe/c2*14-12(9-5-1-2-6-9)10-7-3-4-8-11(10)13(15)16;/h2*1,3-5,7-8H,2H2,(H,15,16);/q2*-1;+2