2-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenoxy]-2-(4-iodophenyl)ethanoic acid

Systemtic Name: 2-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenoxy]-2-(4-iodophenyl)ethanoic acid Openeye Name: 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenoxy]-2-(4-iodophenyl)acetic acid CAS Name: 2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]-2-(4-iodophenyl)acetic acid IUPAC Name: 2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]-2-(4-iodophenyl)acetic acid Traditional Name: 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenoxy]-2-(4-iodophenyl)acetic acid Formula: C17H13I4NO4 MolecularWeight: 802.9073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C(=C(C=C1I)I)OC(C2=CC=C(C=C2)I)C(=O)O)I

Isomeric SMILES

CC(=O)N(C)C1=C(C(=C(C=C1I)I)OC(C2=CC=C(C=C2)I)C(=O)O)I

InChI

InChI=1S/C17H13I4NO4/c1-8(23)22(2)14-11(19)7-12(20)16(13(14)21)26-15(17(24)25)9-3-5-10(18)6-4-9/h3-7,15H,1-2H3,(H,24,25)