2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]butanoic acid

Systemtic Name: 2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]butanoic acid Openeye Name: 2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenyl]butanoic acid CAS Name: 2-[2,4,6-triiodo-3-(2-oxo-1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenyl]butanoic acid Traditional Name: 2-[2,4,6-triiodo-3-(2-ketopyrrolidino)phenyl]butyric acid Formula: C14H14I3NO3 MolecularWeight: 624.97927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1I)I)N2CCCC2=O)I)C(=O)O

Isomeric SMILES

CCC(C1=C(C(=C(C=C1I)I)N2CCCC2=O)I)C(=O)O

InChI

InChI=1S/C14H14I3NO3/c1-2-7(14(20)21)11-8(15)6-9(16)13(12(11)17)18-5-3-4-10(18)19/h6-7H,2-5H2,1H3,(H,20,21)