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

Systemtic Name: 2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]-2-(3-methylphenyl)ethanoic acid Openeye Name: 2-(3-acetamido-2,4,6-triiodo-phenoxy)-2-(m-tolyl)acetic acid CAS Name: 2-(3-acetamido-2,4,6-triiodophenoxy)-2-(3-methylphenyl)acetic acid IUPAC Name: 2-(3-acetamido-2,4,6-triiodophenoxy)-2-(3-methylphenyl)acetic acid Traditional Name: 2-(3-acetamido-2,4,6-triiodo-phenoxy)-2-(m-tolyl)acetic acid Formula: C17H14I3NO4 MolecularWeight: 677.01077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=O)O)OC2=C(C=C(C(=C2I)NC(=O)C)I)I

Isomeric SMILES

CC1=CC(=CC=C1)C(C(=O)O)OC2=C(C=C(C(=C2I)NC(=O)C)I)I

InChI

InChI=1S/C17H14I3NO4/c1-8-4-3-5-10(6-8)15(17(23)24)25-16-12(19)7-11(18)14(13(16)20)21-9(2)22/h3-7,15H,1-2H3,(H,21,22)(H,23,24)