4-non-1-ynyl-2-[2-(4-pentylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene

Systemtic Name: 4-non-1-ynyl-2-[2-(4-pentylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Openeye Name: 4-non-1-ynyl-2-[2-(4-pentylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene CAS Name: 4-non-1-ynyl-2-[2-(4-pentylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene IUPAC Name: 4-non-1-ynyl-2-[2-(4-pentylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Traditional Name: 2-[2-(4-amylcyclohexyl)ethyl]-4-non-1-ynyl-1-(2-phenylethynyl)benzene Formula: C36H48 MolecularWeight: 480.76632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC#CC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCC3CCC(CC3)CCCCC

InChI

InChI=1S/C36H48/c1-3-5-7-8-9-10-13-19-34-26-28-35(27-24-31-17-14-11-15-18-31)36(30-34)29-25-33-22-20-32(21-23-33)16-12-6-4-2/h11,14-15,17-18,26,28,30,32-33H,3-10,12,16,20-23,25,29H2,1-2H3