3-bromanyl-5-nonyl-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-bromanyl-5-nonyl-2-oxidanyl-benzenecarbonitrile Openeye Name: 3-bromo-2-hydroxy-5-nonyl-benzonitrile CAS Name: 3-bromo-2-hydroxy-5-nonylbenzonitrile IUPAC Name: 3-bromo-2-hydroxy-5-nonylbenzonitrile Traditional Name: 3-bromo-2-hydroxy-5-nonyl-benzonitrile Formula: C16H22BrNO MolecularWeight: 324.25598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1)C#N)O)Br

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1)C#N)O)Br

InChI

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