2-[5-(diethanoylamino)-2,3,4-tris(iodanyl)phenyl]carbonyloxyethylphosphonic acid

Systemtic Name: 2-[5-(diethanoylamino)-2,3,4-tris(iodanyl)phenyl]carbonyloxyethylphosphonic acid Openeye Name: 2-[5-(diacetylamino)-2,3,4-triiodo-benzoyl]oxyethylphosphonic acid CAS Name: 2-[[5-(diacetylamino)-2,3,4-triiodophenyl]-oxomethoxy]ethylphosphonic acid IUPAC Name: 2-[5-(diacetylamino)-2,3,4-triiodobenzoyl]oxyethylphosphonic acid Traditional Name: 2-[5-(diacetylamino)-2,3,4-triiodo-benzoyl]oxyethylphosphonic acid Formula: C13H13I3NO7P MolecularWeight: 706.931991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C(=C(C(=C1)C(=O)OCCP(=O)(O)O)I)I)I)C(=O)C

Isomeric SMILES

CC(=O)N(C1=C(C(=C(C(=C1)C(=O)OCCP(=O)(O)O)I)I)I)C(=O)C

InChI

InChI=1S/C13H13I3NO7P/c1-6(18)17(7(2)19)9-5-8(10(14)12(16)11(9)15)13(20)24-3-4-25(21,22)23/h5H,3-4H2,1-2H3,(H2,21,22,23)