2-[2-(4-butylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 2-[2-(4-butylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 2-[2-(4-butylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 2-[2-(4-butylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 2-[2-(4-butylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 2-[2-(4-butylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene Formula: C31H38 MolecularWeight: 410.63342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C31H38/c1-3-5-8-14-29-21-23-30(22-19-26-12-9-7-10-13-26)31(25-29)24-20-28-17-15-27(16-18-28)11-6-4-2/h7,9-10,12-13,21,23,25,27-28H,3-6,11,15-18,20,24H2,1-2H3