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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

Isomeric SMILES

COCC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

InChI

InChI=1S/C17H17I2NO5/c1-24-8-10-7-11(2-3-15(10)21)25-16-12(18)4-9(5-13(16)19)6-14(20)17(22)23/h2-5,7,14,21H,6,8,20H2,1H3,(H,22,23)