4-(hydroxymethyl)-5-(3-iodanylphenyl)-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-5-(3-iodanylphenyl)-1,2-oxazole-3-carboxylic acid Openeye Name: 4-(hydroxymethyl)-5-(3-iodophenyl)isoxazole-3-carboxylic acid CAS Name: 4-(hydroxymethyl)-5-(3-iodophenyl)-3-isoxazolecarboxylic acid IUPAC Name: 4-(hydroxymethyl)-5-(3-iodophenyl)-1,2-oxazole-3-carboxylic acid Traditional Name: 5-(3-iodophenyl)-4-methylol-isoxazole-3-carboxylic acid Formula: C11H8INO4 MolecularWeight: 345.08999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=C(C(=NO2)C(=O)O)CO

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=C(C(=NO2)C(=O)O)CO

InChI

InChI=1S/C11H8INO4/c12-7-3-1-2-6(4-7)10-8(5-14)9(11(15)16)13-17-10/h1-4,14H,5H2,(H,15,16)