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

Systemtic Name: 4-non-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Openeye Name: 4-non-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene CAS Name: 4-non-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene IUPAC Name: 4-non-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Traditional Name: 4-non-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Formula: C39H54 MolecularWeight: 522.84606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H54/c1-3-5-7-9-11-13-16-22-37-29-31-38(30-27-34-19-17-14-18-20-34)39(33-37)32-28-36-25-23-35(24-26-36)21-15-12-10-8-6-4-2/h14,17-20,29,31,33,35-36H,3-13,15,21,23-26,28,32H2,1-2H3