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

Systemtic Name: 2-azanyl-3-[4-(3-ethenyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-vinyl-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(3-ethenyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(3-ethenyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-vinyl-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C17H15I2NO4 MolecularWeight: 551.11424

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)O

Isomeric SMILES

C=CC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)O

InChI

InChI=1S/C17H15I2NO4/c1-2-10-8-11(3-4-15(10)21)24-16-12(18)5-9(6-13(16)19)7-14(20)17(22)23/h2-6,8,14,21H,1,7,20H2,(H,22,23)