2-azaniumyl-3-[4-[3-(2-hydroxyethyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate

Systemtic Name: 2-azaniumyl-3-[4-[3-(2-hydroxyethyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(2-hydroxyethyl)phenoxy]-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-(2-hydroxyethyl)phenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(2-hydroxyethyl)phenoxy]-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-[4-hydroxy-3-(2-hydroxyethyl)phenoxy]-3,5-diiodo-phenyl]propionate Formula: C17H17I2NO5 MolecularWeight: 569.12952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)CCO)O

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)CCO)O

InChI

InChI=1S/C17H17I2NO5/c18-12-5-9(7-14(20)17(23)24)6-13(19)16(12)25-11-1-2-15(22)10(8-11)3-4-21/h1-2,5-6,8,14,21-22H,3-4,7,20H2,(H,23,24)