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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(C=CC(=C1)CCCCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCC#CC1=C(C=CC(=C1)CCCCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C26H30/c1-3-5-7-8-13-17-26-22-24(16-10-6-4-2)19-21-25(26)20-18-23-14-11-9-12-15-23/h9,11-12,14-15,19,21-22H,3-8,10,16H2,1-2H3