2-acetamido-3-(3-iodanyl-5-methyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-acetamido-3-(3-iodanyl-5-methyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-acetamido-3-(4-hydroxy-3-iodo-5-methyl-phenyl)propanoic acid CAS Name: 2-acetamido-3-(4-hydroxy-3-iodo-5-methylphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(4-hydroxy-3-iodo-5-methylphenyl)propanoic acid Traditional Name: 2-acetamido-3-(4-hydroxy-3-iodo-5-methyl-phenyl)propionic acid Formula: C12H14INO4 MolecularWeight: 363.14833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14INO4/c1-6-3-8(4-9(13)11(6)16)5-10(12(17)18)14-7(2)15/h3-4,10,16H,5H2,1-2H3,(H,14,15)(H,17,18)