3-(3-iodanyl-4-oxidanyl-phenyl)-2-pyrrol-1-yl-propanoic acid

Systemtic Name: 3-(3-iodanyl-4-oxidanyl-phenyl)-2-pyrrol-1-yl-propanoic acid Openeye Name: 3-(4-hydroxy-3-iodo-phenyl)-2-pyrrol-1-yl-propanoic acid CAS Name: 3-(4-hydroxy-3-iodophenyl)-2-(1-pyrrolyl)propanoic acid IUPAC Name: 3-(4-hydroxy-3-iodophenyl)-2-pyrrol-1-ylpropanoic acid Traditional Name: 3-(4-hydroxy-3-iodo-phenyl)-2-pyrrol-1-yl-propionic acid Formula: C13H12INO3 MolecularWeight: 357.14375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C(CC2=CC(=C(C=C2)O)I)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C(CC2=CC(=C(C=C2)O)I)C(=O)O

InChI

InChI=1S/C13H12INO3/c14-10-7-9(3-4-12(10)16)8-11(13(17)18)15-5-1-2-6-15/h1-7,11,16H,8H2,(H,17,18)