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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCC)C#CC3=CC=CC=C3

InChI

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