(3-acetyloxy-5-carboniodidoyl-phenyl) 4-oxidanylidenepentanoate

Systemtic Name: (3-acetyloxy-5-carboniodidoyl-phenyl) 4-oxidanylidenepentanoate Openeye Name: (3-acetoxy-5-iodocarbonyl-phenyl) 4-oxopentanoate CAS Name: 4-oxopentanoic acid (3-acetyloxy-5-carboniodidoylphenyl) ester IUPAC Name: (3-acetyloxy-5-carboniodidoylphenyl) 4-oxopentanoate Traditional Name: 4-ketovaleric acid (3-acetoxy-5-iodocarbonyl-phenyl) ester Formula: C14H13IO6 MolecularWeight: 404.15389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1=CC(=CC(=C1)OC(=O)C)C(=O)I

Isomeric SMILES

CC(=O)CCC(=O)OC1=CC(=CC(=C1)OC(=O)C)C(=O)I

InChI

InChI=1S/C14H13IO6/c1-8(16)3-4-13(18)21-12-6-10(14(15)19)5-11(7-12)20-9(2)17/h5-7H,3-4H2,1-2H3