Iron(2+) 2,4-cyclopentadienide 1-(2,4-cyclopentadien-1-ylidene)-3,5,5-trimethyl-1-hexanolate (1:1:1)

ChemSpider ID: 64612
Molecular Formula: C₁₉H₂₆FeO
Monoisotopic mass: 326.133301 Da
Systematic name

Iron(2+) 2,4-cyclopentadienide 1-(2,4-cyclopentadien-1-ylidene)-3,5,5-trimethyl-1-hexanolate (1:1:1)
SMILES and InChIs

SMILES:

[Fe+2].[O-]\C(=C1\C=C/C=C1)CC(CC(C)(C)C)C.c1[c-]ccc1 Copied

Std. InChI:

InChI=1S/C14H22O.C5H5.Fe/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12;1-2-4-5-3-1;/h5-8,11,15H,9-10H2,1-4H3;1-5H;/q;-1;+2/p-1 Copied

Std. InChIKey:

ACNAXEZQQXXWAE-UHFFFAOYSA-M Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library