2-but-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene

Systemtic Name: 2-but-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene Openeye Name: 2-but-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene CAS Name: 2-but-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene IUPAC Name: 2-but-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene Traditional Name: 2-but-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene Formula: C26H30 MolecularWeight: 342.5164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

InChI

InChI=1S/C26H30/c1-3-5-7-8-9-11-16-24-19-21-25(26(22-24)17-6-4-2)20-18-23-14-12-10-13-15-23/h10,12-15,19,21-22H,3-5,7-9,11,16H2,1-2H3