4-[4-(2-azanyl-1-oxidanyl-ethyl)-2,6-bis(iodanyl)phenoxy]phenol

Systemtic Name: 4-[4-(2-azanyl-1-oxidanyl-ethyl)-2,6-bis(iodanyl)phenoxy]phenol Openeye Name: 4-[4-(2-amino-1-hydroxy-ethyl)-2,6-diiodo-phenoxy]phenol CAS Name: 4-[4-(2-amino-1-hydroxyethyl)-2,6-diiodophenoxy]phenol IUPAC Name: 4-[4-(2-amino-1-hydroxyethyl)-2,6-diiodophenoxy]phenol Traditional Name: 4-[4-(2-amino-1-hydroxy-ethyl)-2,6-diiodo-phenoxy]phenol Formula: C14H13I2NO3 MolecularWeight: 497.06686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C(CN)O)I

Isomeric SMILES

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C(CN)O)I

InChI

InChI=1S/C14H13I2NO3/c15-11-5-8(13(19)7-17)6-12(16)14(11)20-10-3-1-9(18)2-4-10/h1-6,13,18-19H,7,17H2