cyclopenta-1,3-diene-1-carboxylic acid; 1-cyclopenta-1,3-dien-1-ylethanone; iron(2+)

Systemtic Name: cyclopenta-1,3-diene-1-carboxylic acid; 1-cyclopenta-1,3-dien-1-ylethanone; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene-1-carboxylic acid; 1-cyclopenta-1,3-dien-1-ylethanone CAS Name: 1-cyclopenta-1,3-dienecarboxylic acid; 1-(1-cyclopenta-1,3-dienyl)ethanone; iron(2+) IUPAC Name: cyclopenta-1,3-diene-1-carboxylic acid; 1-cyclopenta-1,3-dien-1-ylethanone; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene-1-carboxylic acid; 1-cyclopenta-1,3-dien-1-ylethanone Formula: C13H12FeO3 MolecularWeight: 272.07758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C[CH-]1.[CH-]1C=CC=C1C(=O)O.[Fe+2]

Isomeric SMILES

CC(=O)C1=CC=C[CH-]1.[CH-]1C=CC=C1C(=O)O.[Fe+2]

InChI

InChI=1S/C7H7O.C6H5O2.Fe/c1-6(8)7-4-2-3-5-7;7-6(8)5-3-1-2-4-5;/h2-5H,1H3;1-4H,(H,7,8);/q2*-1;+2