(2S)-2-azaniumyl-3-[3-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[3-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[4-(4-hydroxyphenoxy)-3-iodo-phenyl]propanoate CAS Name: (2S)-2-ammonio-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoate Traditional Name: (2S)-2-ammonio-3-[4-(4-hydroxyphenoxy)-3-iodo-phenyl]propionate Formula: C15H14INO4 MolecularWeight: 399.18043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=C(C=C(C=C2)CC(C(=O)[O-])[NH3+])I

Isomeric SMILES

C1=CC(=CC=C1O)OC2=C(C=C(C=C2)C[C@@H](C(=O)[O-])[NH3+])I

InChI

InChI=1S/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)/t13-/m0/s1