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

Systemtic Name: 2-azanyl-3-[3,5-bis(iodanyl)-4-(3-iodanyl-5-methyl-4-oxidanyl-phenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-iodo-5-methyl-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-3-iodo-5-methylphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-iodo-5-methylphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-iodo-5-methyl-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C16H14I3NO4 MolecularWeight: 665.00007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)I)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

Isomeric SMILES

CC1=CC(=CC(=C1O)I)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

InChI

InChI=1S/C16H14I3NO4/c1-7-2-9(6-10(17)14(7)21)24-15-11(18)3-8(4-12(15)19)5-13(20)16(22)23/h2-4,6,13,21H,5,20H2,1H3,(H,22,23)