benzoic acid; 3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile

Systemtic Name: benzoic acid; 3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile Openeye Name: benzoic acid; 4-hydroxy-3,5-diiodo-benzonitrile CAS Name: benzoic acid; 4-hydroxy-3,5-diiodobenzonitrile IUPAC Name: benzoic acid; 4-hydroxy-3,5-diiodobenzonitrile Traditional Name: benzoic acid; 4-hydroxy-3,5-diiodo-benzonitrile Formula: C14H9I2NO3 MolecularWeight: 493.0351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=C(C=C(C(=C1I)O)I)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=C(C=C(C(=C1I)O)I)C#N

InChI

InChI=1S/C7H3I2NO.C7H6O2/c8-5-1-4(3-10)2-6(9)7(5)11;8-7(9)6-4-2-1-3-5-6/h1-2,11H;1-5H,(H,8,9)