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

Systemtic Name: 2-azaniumyl-3-[3,5-bis(iodanyl)-4-[4-oxidanyl-3-(5-oxidanylpentyl)phenoxy]phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(5-hydroxypentyl)phenoxy]-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-(5-hydroxypentyl)phenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(5-hydroxypentyl)phenoxy]-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-[4-hydroxy-3-(5-hydroxypentyl)phenoxy]-3,5-diiodo-phenyl]propionate Formula: C20H23I2NO5 MolecularWeight: 611.20926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23I2NO5/c21-15-8-12(10-17(23)20(26)27)9-16(22)19(15)28-14-5-6-18(25)13(11-14)4-2-1-3-7-24/h5-6,8-9,11,17,24-25H,1-4,7,10,23H2,(H,26,27)