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

Systemtic Name: 2-azanyl-3-[3,5-bis(iodanyl)-2-(2-methylphosphanylethanoyl)-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(2-methylphosphanylacetyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(2-methylphosphino-1-oxoethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(2-methylphosphanylacetyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-2-(2-methylphosphinoacetyl)phenyl]propionic acid Formula: C18H18I2NO5P MolecularWeight: 613.121921

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Descriptors Computed from Structure

Canonical SMILES:

CPCC(=O)C1=C(C(=C(C=C1CC(C(=O)O)N)I)OC2=CC=C(C=C2)O)I

Isomeric SMILES

CPCC(=O)C1=C(C(=C(C=C1CC(C(=O)O)N)I)OC2=CC=C(C=C2)O)I

InChI

InChI=1S/C18H18I2NO5P/c1-27-8-14(23)15-9(7-13(21)18(24)25)6-12(19)17(16(15)20)26-11-4-2-10(22)3-5-11/h2-6,13,22,27H,7-8,21H2,1H3,(H,24,25)