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

Systemtic Name: 2-azaniumyl-3-[3,5-bis(iodanyl)-4-[3-(2-methylpropyl)-4-oxidanyl-phenoxy]phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-(4-hydroxy-3-isobutyl-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-(4-hydroxy-3-isobutyl-phenoxy)-3,5-diiodo-phenyl]propionate Formula: C19H21I2NO4 MolecularWeight: 581.18328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC(C(=O)[O-])[NH3+])I)O

InChI

InChI=1S/C19H21I2NO4/c1-10(2)5-12-9-13(3-4-17(12)23)26-18-14(20)6-11(7-15(18)21)8-16(22)19(24)25/h3-4,6-7,9-10,16,23H,5,8,22H2,1-2H3,(H,24,25)