1-methyl-4-[4-[2-(4-oct-5-ynylphenyl)ethynyl]phenyl]benzene

Systemtic Name: 1-methyl-4-[4-[2-(4-oct-5-ynylphenyl)ethynyl]phenyl]benzene Openeye Name: 1-methyl-4-[4-[2-(4-oct-5-ynylphenyl)ethynyl]phenyl]benzene CAS Name: 1-methyl-4-[4-[2-(4-oct-5-ynylphenyl)ethynyl]phenyl]benzene IUPAC Name: 1-methyl-4-[4-[2-(4-oct-5-ynylphenyl)ethynyl]phenyl]benzene Traditional Name: 1-methyl-4-[4-[2-(4-oct-5-ynylphenyl)ethynyl]phenyl]benzene Formula: C29H28 MolecularWeight: 376.53262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC#CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H28/c1-3-4-5-6-7-8-9-25-12-14-26(15-13-25)16-17-27-18-22-29(23-19-27)28-20-10-24(2)11-21-28/h10-15,18-23H,3,6-9H2,1-2H3