2-bromanyl-3-methyl-5-octoxy-benzenecarbonitrile

Systemtic Name: 2-bromanyl-3-methyl-5-octoxy-benzenecarbonitrile Openeye Name: 2-bromo-3-methyl-5-octoxy-benzonitrile CAS Name: 2-bromo-3-methyl-5-octoxybenzonitrile IUPAC Name: 2-bromo-3-methyl-5-octoxybenzonitrile Traditional Name: 2-bromo-3-methyl-5-octoxy-benzonitrile Formula: C16H22BrNO MolecularWeight: 324.25598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C(=C1)C#N)Br)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C(=C1)C#N)Br)C

InChI

InChI=1S/C16H22BrNO/c1-3-4-5-6-7-8-9-19-15-10-13(2)16(17)14(11-15)12-18/h10-11H,3-9H2,1-2H3