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

Systemtic Name: 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; butanoic acid Openeye Name: butyric acid; 3,5-dibromo-4-hydroxy-benzonitrile CAS Name: butanoic acid; 3,5-dibromo-4-hydroxybenzonitrile IUPAC Name: butanoic acid; 3,5-dibromo-4-hydroxybenzonitrile Traditional Name: butyric acid; 3,5-dibromo-4-hydroxy-benzonitrile Formula: C11H11Br2NO3 MolecularWeight: 365.01794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H3Br2NO.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)