3,5-bis(iodanyl)-2-oxidanyl-benzenecarbonitrile; octanoic acid

Systemtic Name: 3,5-bis(iodanyl)-2-oxidanyl-benzenecarbonitrile; octanoic acid Openeye Name: 2-hydroxy-3,5-diiodo-benzonitrile; octanoic acid CAS Name: 2-hydroxy-3,5-diiodobenzonitrile; octanoic acid IUPAC Name: 2-hydroxy-3,5-diiodobenzonitrile; octanoic acid Traditional Name: caprylic acid; 2-hydroxy-3,5-diiodo-benzonitrile Formula: C15H19I2NO3 MolecularWeight: 515.1252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C7H3I2NO/c1-2-3-4-5-6-7-8(9)10;8-5-1-4(3-10)7(11)6(9)2-5/h2-7H2,1H3,(H,9,10);1-2,11H