4-(1-chloranylhexyl)-2-methyl-benzenecarbonitrile

Systemtic Name: 4-(1-chloranylhexyl)-2-methyl-benzenecarbonitrile Openeye Name: 4-(1-chlorohexyl)-2-methyl-benzonitrile CAS Name: 4-(1-chlorohexyl)-2-methylbenzonitrile IUPAC Name: 4-(1-chlorohexyl)-2-methylbenzonitrile Traditional Name: 4-(1-chlorohexyl)-2-methyl-benzonitrile Formula: C14H18ClN MolecularWeight: 235.75242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN/c1-3-4-5-6-14(15)12-7-8-13(10-16)11(2)9-12/h7-9,14H,3-6H2,1-2H3