2,6-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; octanoic acid

Systemtic Name: 2,6-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; octanoic acid Openeye Name: 2,6-dibromo-4-hydroxy-benzonitrile; octanoic acid CAS Name: 2,6-dibromo-4-hydroxybenzonitrile; octanoic acid IUPAC Name: 2,6-dibromo-4-hydroxybenzonitrile; octanoic acid Traditional Name: caprylic acid; 2,6-dibromo-4-hydroxy-benzonitrile Formula: C15H19Br2NO3 MolecularWeight: 421.12426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.C1=C(C=C(C(=C1Br)C#N)Br)O

Isomeric SMILES

CCCCCCCC(=O)O.C1=C(C=C(C(=C1Br)C#N)Br)O

InChI

InChI=1S/C8H16O2.C7H3Br2NO/c1-2-3-4-5-6-7-8(9)10;8-6-1-4(11)2-7(9)5(6)3-10/h2-7H2,1H3,(H,9,10);1-2,11H