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

Systemtic Name: 2-azaniumyl-3-[4-[3-(hydroxymethyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(hydroxymethyl)phenoxy]-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-(hydroxymethyl)phenoxy]-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[4-hydroxy-3-(hydroxymethyl)phenoxy]-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-(4-hydroxy-3-methylol-phenoxy)-3,5-diiodo-phenyl]propionate Formula: C16H15I2NO5 MolecularWeight: 555.10294

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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)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15I2NO5/c17-11-3-8(5-13(19)16(22)23)4-12(18)15(11)24-10-1-2-14(21)9(6-10)7-20/h1-4,6,13,20-21H,5,7,19H2,(H,22,23)