2-(3-chloranyl-2-methyl-phenyl)octanenitrile

Systemtic Name: 2-(3-chloranyl-2-methyl-phenyl)octanenitrile Openeye Name: 2-(3-chloro-2-methyl-phenyl)octanenitrile CAS Name: 2-(3-chloro-2-methylphenyl)octanenitrile IUPAC Name: 2-(3-chloro-2-methylphenyl)octanenitrile Traditional Name: 2-(3-chloro-2-methyl-phenyl)caprylonitrile Formula: C15H20ClN MolecularWeight: 249.779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#N)C1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCCCCCC(C#N)C1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C15H20ClN/c1-3-4-5-6-8-13(11-17)14-9-7-10-15(16)12(14)2/h7,9-10,13H,3-6,8H2,1-2H3