2-azanyl-3-[4-(3-bromanylpropoxy)-3,5-bis(iodanyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(3-bromanylpropoxy)-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(3-bromopropoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(3-bromopropoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(3-bromopropoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(3-bromopropoxy)-3,5-diiodo-phenyl]propionic acid Formula: C12H14BrI2NO3 MolecularWeight: 553.9574

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)OCCCBr)I)CC(C(=O)O)N

Isomeric SMILES

C1=C(C=C(C(=C1I)OCCCBr)I)CC(C(=O)O)N

InChI

InChI=1S/C12H14BrI2NO3/c13-2-1-3-19-11-8(14)4-7(5-9(11)15)6-10(16)12(17)18/h4-5,10H,1-3,6,16H2,(H,17,18)