2-azanyl-3-[2-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid sulfate

Systemtic Name: 2-azanyl-3-[2-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid sulfate Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodo-phenyl]propanoic acid sulfate CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodophenyl]propanoic acid sulfate IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodophenyl]propanoic acid sulfate Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodo-phenyl]propionic acid sulfate Formula: C15H14INO8S-2 MolecularWeight: 495.24303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=CC(=C(C=C2)CC(C(=O)O)N)I.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1O)OC2=CC(=C(C=C2)CC(C(=O)O)N)I.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H14INO4.H2O4S/c16-13-8-12(21-11-5-2-10(18)3-6-11)4-1-9(13)7-14(17)15(19)20;1-5(2,3)4/h1-6,8,14,18H,7,17H2,(H,19,20);(H2,1,2,3,4)/p-2