(2S)-2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid

ChemSpider ID: 26327000
Molecular Formula: C₁₁H₁₁I₃O₃
Average mass: 571.916687 Da
Monoisotopic mass: 571.78418 Da
Systematic name

(2S)-2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid
SMILES and InChIs

SMILES:

CC[C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O Copied

Std. InChI:

InChI=1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17)/t5-/m0/s1 Copied

Std. InChIKey:

GOIQOQCNFWYSTQ-YFKPBYRVSA-N Copied
Cite this record
CSID:26327000, http://www.chemspider.com/Chemical-Structure.26327000.html (accessed 05:35, Jun 19, 2013) 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