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

Systemtic Name: 2-azaniumyl-3-[3,5-bis(iodanyl)-4-[4-oxidanyl-3-(4-oxidanylbutyl)phenoxy]phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(4-hydroxybutyl)phenoxy]-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-(4-hydroxybutyl)phenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(4-hydroxybutyl)phenoxy]-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-[4-hydroxy-3-(4-hydroxybutyl)phenoxy]-3,5-diiodo-phenyl]propionate Formula: C19H21I2NO5 MolecularWeight: 597.18268

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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)CCCCO)O

Isomeric SMILES

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

InChI

InChI=1S/C19H21I2NO5/c20-14-7-11(9-16(22)19(25)26)8-15(21)18(14)27-13-4-5-17(24)12(10-13)3-1-2-6-23/h4-5,7-8,10,16,23-24H,1-3,6,9,22H2,(H,25,26)