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

Systemtic Name: 3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile; butanoic acid Openeye Name: butyric acid; 4-hydroxy-3,5-diiodo-benzonitrile CAS Name: butanoic acid; 4-hydroxy-3,5-diiodobenzonitrile IUPAC Name: butanoic acid; 4-hydroxy-3,5-diiodobenzonitrile Traditional Name: butyric acid; 4-hydroxy-3,5-diiodo-benzonitrile Formula: C11H11I2NO3 MolecularWeight: 459.01888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H3I2NO.C4H8O2/c8-5-1-4(3-10)2-6(9)7(5)11;1-2-3-4(5)6/h1-2,11H;2-3H2,1H3,(H,5,6)