5-[2-(2-ethoxyethoxy)ethyl-phenyl-amino]-2,2,3-tris(iodanyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(2-ethoxyethoxy)ethyl-phenyl-amino]-2,2,3-tris(iodanyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[N-[2-(2-ethoxyethoxy)ethyl]anilino]-2,2,3-triiodo-5-oxo-pentanoic acid CAS Name: 5-[N-[2-(2-ethoxyethoxy)ethyl]anilino]-2,2,3-triiodo-5-oxopentanoic acid IUPAC Name: 5-[N-[2-(2-ethoxyethoxy)ethyl]anilino]-2,2,3-triiodo-5-oxopentanoic acid Traditional Name: 5-[N-[2-(2-ethoxyethoxy)ethyl]anilino]-2,2,3-triiodo-5-keto-valeric acid Formula: C17H22I3NO5 MolecularWeight: 701.07369

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOCCN(C1=CC=CC=C1)C(=O)CC(C(C(=O)O)(I)I)I

Isomeric SMILES

CCOCCOCCN(C1=CC=CC=C1)C(=O)CC(C(C(=O)O)(I)I)I

InChI

InChI=1S/C17H22I3NO5/c1-2-25-10-11-26-9-8-21(13-6-4-3-5-7-13)15(22)12-14(18)17(19,20)16(23)24/h3-7,14H,2,8-12H2,1H3,(H,23,24)