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

Systemtic Name: 3-[4-[3-(aminomethyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]-2-azaniumyl-propanoate Openeye Name: 3-[4-[3-(aminomethyl)-4-hydroxy-phenoxy]-3,5-diiodo-phenyl]-2-azaniumyl-propanoate CAS Name: 3-[4-[3-(aminomethyl)-4-hydroxyphenoxy]-3,5-diiodophenyl]-2-ammoniopropanoate IUPAC Name: 3-[4-[3-(aminomethyl)-4-hydroxyphenoxy]-3,5-diiodophenyl]-2-azaniumylpropanoate Traditional Name: 3-[4-[3-(aminomethyl)-4-hydroxy-phenoxy]-3,5-diiodo-phenyl]-2-ammonio-propionate Formula: C16H16I2N2O4 MolecularWeight: 554.11818

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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)CN)O

Isomeric SMILES

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

InChI

InChI=1S/C16H16I2N2O4/c17-11-3-8(5-13(20)16(22)23)4-12(18)15(11)24-10-1-2-14(21)9(6-10)7-19/h1-4,6,13,21H,5,7,19-20H2,(H,22,23)