2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid; 2-amino-3-(4-hydroxyphenyl)propionic acid Formula: C18H21IN2O6 MolecularWeight: 488.27361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=CC(=C(C=C1CC(C(=O)O)N)I)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=CC(=C(C=C1CC(C(=O)O)N)I)O

InChI

InChI=1S/C9H10INO3.C9H11NO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-3,7,12H,4,11H2,(H,13,14);1-4,8,11H,5,10H2,(H,12,13)