2-chloranyl-4-[2-(4-pentylcyclohexyl)ethynyl]benzenecarbonitrile; ethyne

Systemtic Name: 2-chloranyl-4-[2-(4-pentylcyclohexyl)ethynyl]benzenecarbonitrile; ethyne Openeye Name: acetylene; 2-chloro-4-[2-(4-pentylcyclohexyl)ethynyl]benzonitrile CAS Name: acetylene; 2-chloro-4-[2-(4-pentylcyclohexyl)ethynyl]benzonitrile IUPAC Name: acetylene; 2-chloro-4-[2-(4-pentylcyclohexyl)ethynyl]benzonitrile Traditional Name: acetylene; 4-[2-(4-amylcyclohexyl)ethynyl]-2-chloro-benzonitrile Formula: C22H26ClN MolecularWeight: 339.90154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C#CC2=CC(=C(C=C2)C#N)Cl.C#C

Isomeric SMILES

CCCCCC1CCC(CC1)C#CC2=CC(=C(C=C2)C#N)Cl.C#C

InChI

InChI=1S/C20H24ClN.C2H2/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-13-19(15-22)20(21)14-18;1-2/h12-14,16-17H,2-9H2,1H3;1-2H