3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; heptanoic acid

Systemtic Name: 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; heptanoic acid Openeye Name: 3,5-dibromo-4-hydroxy-benzonitrile; heptanoic acid CAS Name: 3,5-dibromo-4-hydroxybenzonitrile; heptanoic acid IUPAC Name: 3,5-dibromo-4-hydroxybenzonitrile; heptanoic acid Traditional Name: 3,5-dibromo-4-hydroxy-benzonitrile; enanthic acid Formula: C14H17Br2NO3 MolecularWeight: 407.09768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H3Br2NO.C7H14O2/c8-5-1-4(3-10)2-6(9)7(5)11;1-2-3-4-5-6-7(8)9/h1-2,11H;2-6H2,1H3,(H,8,9)