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

Systemtic Name: 2-azaniumyl-3-[4-[3-(carboxymethyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-[3-(carboxymethyl)-4-hydroxy-phenoxy]-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[3-(carboxymethyl)-4-hydroxyphenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[3-(carboxymethyl)-4-hydroxyphenoxy]-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-[3-(carboxymethyl)-4-hydroxy-phenoxy]-3,5-diiodo-phenyl]propionate Formula: C17H15I2NO6 MolecularWeight: 583.11304

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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)CC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H15I2NO6/c18-11-3-8(5-13(20)17(24)25)4-12(19)16(11)26-10-1-2-14(21)9(6-10)7-15(22)23/h1-4,6,13,21H,5,7,20H2,(H,22,23)(H,24,25)