2-[3-[butyl(ethanoyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-[butyl(ethanoyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid Openeye Name: 2-[3-[acetyl(butyl)amino]-2,4,6-triiodo-phenyl]acetic acid CAS Name: 2-[3-[acetyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid IUPAC Name: 2-[3-[acetyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid Traditional Name: 2-[3-[acetyl(butyl)amino]-2,4,6-triiodo-phenyl]acetic acid Formula: C14H16I3NO3 MolecularWeight: 626.99515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)C

Isomeric SMILES

CCCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)C

InChI

InChI=1S/C14H16I3NO3/c1-3-4-5-18(8(2)19)14-11(16)7-10(15)9(13(14)17)6-12(20)21/h7H,3-6H2,1-2H3,(H,20,21)