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Reference substances

Reference substances

IUPAC name:
(2S)-2-amino-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid

Inventory

CAS number:
94345-95-6
Synonyms
Names:
Identifier:
EC number
619-013-3
(2S)-2-amino-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid

Molecular and structural information

Molecular formula:
C16H15I2NO4
Molecular weight:
ca. 539.1
SMILES notation:
COc1ccc(cc1)Oc2c(cc(cc2I)CC(C(=O)O)N)I
InChl:
InChI=1S/C16H15I2NO4/c1-22-10-2-4-11(5-3-10)23-15-12(17)6-9(7-13(15)18)8-14(19)16(20)21/h2-7,14H,8,19H2,1H3,(H,20,21)
Structural formula:
Chemical structure

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