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

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

Systemtic Name:2-azanyl-3-[4-(5-bromanylpentoxy)-3,5-bis(iodanyl)phenyl]propanoic acid
Openeye Name:2-amino-3-[4-(5-bromopentoxy)-3,5-diiodo-phenyl]propanoic acid
CAS Name:2-amino-3-[4-(5-bromopentoxy)-3,5-diiodophenyl]propanoic acid
IUPAC Name:2-amino-3-[4-(5-bromopentoxy)-3,5-diiodophenyl]propanoic acid
Traditional Name:2-amino-3-[4-(5-bromopentoxy)-3,5-diiodo-phenyl]propionic acid
Formula: C14H18BrI2NO3
MolecularWeight: 582.01056
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H18BrI2NO3/c15-4-2-1-3-5-21-13-10(16)6-9(7-11(13)17)8-12(18)14(19)20/h6-7,12H,1-5,8,18H2,(H,19,20)


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