4-(5-hexyl-1,3,2-dioxaborinan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-hexyl-1,3,2-dioxaborinan-2-yl)benzenecarbonitrile Openeye Name: 4-(5-hexyl-1,3,2-dioxaborinan-2-yl)benzonitrile CAS Name: 4-(5-hexyl-1,3,2-dioxaborinan-2-yl)benzonitrile IUPAC Name: 4-(5-hexyl-1,3,2-dioxaborinan-2-yl)benzonitrile Traditional Name: 4-(5-hexyl-1,3,2-dioxaborinan-2-yl)benzonitrile Formula: C16H22BNO2 MolecularWeight: 271.16238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)CCCCCC)C2=CC=C(C=C2)C#N

Isomeric SMILES

B1(OCC(CO1)CCCCCC)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H22BNO2/c1-2-3-4-5-6-15-12-19-17(20-13-15)16-9-7-14(11-18)8-10-16/h7-10,15H,2-6,12-13H2,1H3