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

Systemtic Name: 2-azaniumyl-3-[3,5-bis(iodanyl)-4-(3-nitro-4-oxidanyl-phenoxy)phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-(4-hydroxy-3-nitro-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-ammonio-3-[4-(4-hydroxy-3-nitrophenoxy)-3,5-diiodophenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-(4-hydroxy-3-nitrophenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-ammonio-3-[4-(4-hydroxy-3-nitro-phenoxy)-3,5-diiodo-phenyl]propionate Formula: C15H12I2N2O6 MolecularWeight: 570.07452

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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)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C15H12I2N2O6/c16-9-3-7(5-11(18)15(21)22)4-10(17)14(9)25-8-1-2-13(20)12(6-8)19(23)24/h1-4,6,11,20H,5,18H2,(H,21,22)