sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]-2-(2-methylphenyl)ethanoic acid

Systemtic Name: sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]-2-(2-methylphenyl)ethanoic acid Openeye Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]-2-(o-tolyl)acetic acid CAS Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]-2-(2-methylphenyl)acetic acid IUPAC Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]-2-(2-methylphenyl)acetic acid Traditional Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]-2-(o-tolyl)acetic acid Formula: C19H18I3NNaO5+ MolecularWeight: 744.0531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)O)OCCOC2=C(C=C(C(=C2I)NC(=O)C)I)I.[Na+]

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)O)OCCOC2=C(C=C(C(=C2I)NC(=O)C)I)I.[Na+]

InChI

InChI=1S/C19H18I3NO5.Na/c1-10-5-3-4-6-12(10)17(19(25)26)27-7-8-28-18-14(21)9-13(20)16(15(18)22)23-11(2)24;/h3-6,9,17H,7-8H2,1-2H3,(H,23,24)(H,25,26);/q;+1