4-but-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene

Systemtic Name: 4-but-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Openeye Name: 4-but-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene CAS Name: 4-but-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene IUPAC Name: 4-but-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Traditional Name: 4-but-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Formula: C34H44 MolecularWeight: 452.71316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C34H44/c1-3-5-7-8-9-11-17-30-18-20-31(21-19-30)23-27-34-28-32(14-6-4-2)24-26-33(34)25-22-29-15-12-10-13-16-29/h10,12-13,15-16,24,26,28,30-31H,3-5,7-9,11,17-21,23,27H2,1-2H3