8-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxyoctanoic acid

Systemtic Name: 8-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxyoctanoic acid Openeye Name: 8-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyoctanoic acid CAS Name: 8-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]octanoic acid IUPAC Name: 8-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxyoctanoic acid Traditional Name: 8-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxycaprylic acid Formula: C19H23I3N2O6 MolecularWeight: 756.10913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCCCCCCCC(=O)O)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCCCCCCCC(=O)O)I)NC(=O)C)I

InChI

InChI=1S/C19H23I3N2O6/c1-10(25)23-17-14(20)13(15(21)18(16(17)22)24-11(2)26)19(29)30-9-7-5-3-4-6-8-12(27)28/h3-9H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)