2-[2-(4-heptylcyclohexyl)ethyl]-4-hex-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hex-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hex-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hex-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hex-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hex-1-ynyl-1-(2-phenylethynyl)benzene Formula: C35H46 MolecularWeight: 466.73974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C35H46/c1-3-5-7-9-12-17-31-19-21-32(22-20-31)24-28-35-29-33(18-11-8-6-4-2)25-27-34(35)26-23-30-15-13-10-14-16-30/h10,13-16,25,27,29,31-32H,3-9,12,17,19-22,24,28H2,1-2H3