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

Systemtic Name: 2-azanyl-3-(3-iodanyl-5-methyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-3-iodo-5-methyl-phenyl)propanoic acid CAS Name: 2-amino-3-(4-hydroxy-3-iodo-5-methylphenyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-3-iodo-5-methylphenyl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-3-iodo-5-methyl-phenyl)propionic acid Formula: C10H12INO3 MolecularWeight: 321.11165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12INO3/c1-5-2-6(3-7(11)9(5)13)4-8(12)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)