2-hex-1-ynyl-4-pentyl-1-(2-phenylethynyl)benzene

Systemtic Name: 2-hex-1-ynyl-4-pentyl-1-(2-phenylethynyl)benzene Openeye Name: 2-hex-1-ynyl-4-pentyl-1-(2-phenylethynyl)benzene CAS Name: 2-hex-1-ynyl-4-pentyl-1-(2-phenylethynyl)benzene IUPAC Name: 2-hex-1-ynyl-4-pentyl-1-(2-phenylethynyl)benzene Traditional Name: 4-amyl-2-hex-1-ynyl-1-(2-phenylethynyl)benzene Formula: C25H28 MolecularWeight: 328.48982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCC

InChI

InChI=1S/C25H28/c1-3-5-7-12-16-25-21-23(15-9-6-4-2)18-20-24(25)19-17-22-13-10-8-11-14-22/h8,10-11,13-14,18,20-21H,3-7,9,15H2,1-2H3