3-butyl-2-oxidanyl-benzenecarbonitrile hydrobromide

Systemtic Name: 3-butyl-2-oxidanyl-benzenecarbonitrile hydrobromide Openeye Name: 3-butyl-2-hydroxy-benzonitrile hydrobromide CAS Name: 3-butyl-2-hydroxybenzonitrile hydrobromide IUPAC Name: 3-butyl-2-hydroxybenzonitrile hydrobromide Traditional Name: 3-butyl-2-hydroxy-benzonitrile hydrobromide Formula: C11H14BrNO MolecularWeight: 256.13896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1O)C#N.Br

Isomeric SMILES

CCCCC1=CC=CC(=C1O)C#N.Br

InChI

InChI=1S/C11H13NO.BrH/c1-2-3-5-9-6-4-7-10(8-12)11(9)13;/h4,6-7,13H,2-3,5H2,1H3;1H