2-[2,4,6-tris(iodanyl)-3-(4-methyl-3-oxidanylidene-pentyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,4,6-tris(iodanyl)-3-(4-methyl-3-oxidanylidene-pentyl)phenoxy]ethanoic acid Openeye Name: 2-[2,4,6-triiodo-3-(4-methyl-3-oxo-pentyl)phenoxy]acetic acid CAS Name: 2-[2,4,6-triiodo-3-(4-methyl-3-oxopentyl)phenoxy]acetic acid IUPAC Name: 2-[2,4,6-triiodo-3-(4-methyl-3-oxopentyl)phenoxy]acetic acid Traditional Name: 2-[2,4,6-triiodo-3-(3-keto-4-methyl-pentyl)phenoxy]acetic acid Formula: C14H15I3O4 MolecularWeight: 627.97991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC1=C(C(=C(C=C1I)I)OCC(=O)O)I

Isomeric SMILES

CC(C)C(=O)CCC1=C(C(=C(C=C1I)I)OCC(=O)O)I

InChI

InChI=1S/C14H15I3O4/c1-7(2)11(18)4-3-8-9(15)5-10(16)14(13(8)17)21-6-12(19)20/h5,7H,3-4,6H2,1-2H3,(H,19,20)