4-(2-acetamidoethyl)-3-iodanyl-benzoic acid

Systemtic Name: 4-(2-acetamidoethyl)-3-iodanyl-benzoic acid Openeye Name: 4-(2-acetamidoethyl)-3-iodo-benzoic acid CAS Name: 4-(2-acetamidoethyl)-3-iodobenzoic acid IUPAC Name: 4-(2-acetamidoethyl)-3-iodobenzoic acid Traditional Name: 4-(2-acetamidoethyl)-3-iodo-benzoic acid Formula: C11H12INO3 MolecularWeight: 333.12235

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(C=C(C=C1)C(=O)O)I

Isomeric SMILES

CC(=O)NCCC1=C(C=C(C=C1)C(=O)O)I

InChI

InChI=1S/C11H12INO3/c1-7(14)13-5-4-8-2-3-9(11(15)16)6-10(8)12/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)