(2-butoxy-2-oxidanylidene-ethyl) 3,5-bis(iodanyl)-4-oxidanyl-benzoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 3,5-bis(iodanyl)-4-oxidanyl-benzoate Openeye Name: (2-butoxy-2-oxo-ethyl) 4-hydroxy-3,5-diiodo-benzoate CAS Name: 4-hydroxy-3,5-diiodobenzoic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 4-hydroxy-3,5-diiodobenzoate Traditional Name: 4-hydroxy-3,5-diiodo-benzoic acid (2-butoxy-2-keto-ethyl) ester Formula: C13H14I2O5 MolecularWeight: 504.0562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=CC(=C(C(=C1)I)O)I

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=CC(=C(C(=C1)I)O)I

InChI

InChI=1S/C13H14I2O5/c1-2-3-4-19-11(16)7-20-13(18)8-5-9(14)12(17)10(15)6-8/h5-6,17H,2-4,7H2,1H3